Cas no 52438-12-7 (Isobutylshikonin)

Isobutylshikonin structure
Isobutylshikonin structure
Product Name:Isobutylshikonin
CAS No:52438-12-7
MF:C20H22O6
MW:358.385086536407
CID:936907
PubChem ID:479500
Update Time:2025-04-19

Isobutylshikonin Chemical and Physical Properties

Names and Identifiers

    • isobutyrylshikonin
    • 2-[1-(Isobutyryloxy)-4-methyl-3-pentenyl]-5,8-dihydroxy-1,4-naphthoquinone
    • 2-Methylpropanoic acid (R)-1-[(1,4-dioxo-5,8-dihydroxy-1,4-dihydronaphthalene)-2-yl]-4-methyl-3-pentenyl ester
    • 5,8-DIHYDROXY-2-(1-ISOBUTYRYLOXY-4-METHYL-3-PENTENYL)-1,4-NAPHTHALENEDIONE
    • Isobutylshikonin
    • Isobutyroylshikonin
    • (R)-2-Methyl-propanoic acid 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester
    • { "\"0\"": "Isobutylshikonin" }
    • { "\"1\"": " Isobutyroylshikonin" }
    • { "\"2\"": " (R)-2-Methyl-propanoic acid 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester" }
    • DTXSID901316067
    • AC-35024
    • C17414
    • [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methylpropanoate
    • 52438-12-7
    • Q27155026
    • FT-0770577
    • CCA43812
    • SCHEMBL3298557
    • MS-25632
    • DA-54402
    • Inchi： 1S/C20H22O6/c1-10(2)5-8-16(26-20(25)11(3)4)12-9-15(23)17-13(21)6-7-14(22)18(17)19(12)24/h5-7,9,11,16,21-22H,8H2,1-4H3/t16-/m1/s1
    • InChI Key： BVRYLTBIGIAADD-MRXNPFEDSA-N
    • SMILES： O(C(C(C)C)=O)[C@H](C/C=C(\C)/C)C1=CC(C2C(=CC=C(C=2C1=O)O)O)=O

Computed Properties

  • Exact Mass: 358.14200
  • Monoisotopic Mass: 358.14163842 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 6
  • Complexity: 641
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 358.4
  • XLogP3: 4.6
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.269±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 88 °C
  • Solubility: Insuluble (5.4E-3 g/L) (25 oC),
  • PSA: 100.90000
  • LogP: 3.32730

Isobutylshikonin Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chengdu Biopurify Phytochemicals Ltd
BPF2023-5mg
Isobutylshikonin
 52438-12-7 98%
5mg
 $165 2023-09-20
MedChemExpress
HY-N2592-1mg
Isobutylshikonin
 52438-12-7 99.93%
1mg
 ￥620 2025-04-16
MedChemExpress
HY-N2592-5mg
Isobutylshikonin
 52438-12-7 99.93%
5mg
 ￥1600 2025-04-16
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
I31320-10mg
ISOBUTYRYLSHIKONIN
 52438-12-7 ,HPLC≥98%
10mg
 ￥2848.0 2023-09-07
SHANG HAI TAO SHU Biotechnology Co., Ltd.
TN1137-10 mg
Isobutylshikonin
 52438-12-7
10mg
 ￥2814.00 2022-02-28
ChemFaces
CFN92023-10mg
Isobutylshikonin
 52438-12-7 >=98%
10mg
 $268 2023-09-19
Chengdu Biopurify Phytochemicals Ltd
BPF2023-10mg
Isobutylshikonin
 52438-12-7 98%
10mg
 $260 2023-09-20
Chengdu Biopurify Phytochemicals Ltd
BPF2023-20mg
Isobutylshikonin
 52438-12-7 98%
20mg
 $450 2023-09-20
Aaron
AR00DGEI-10mg
Isobutyrylshikonin
 52438-12-7 95%
10mg
 $340.00 2025-02-11
Aaron
AR00DGEI-5mg
Isobutyrylshikonin
 52438-12-7 95%
5mg
 $302.00 2025-02-11

Isobutylshikonin Related Literature

Related Categories

52438-12-7 (Isobutylshikonin) Related Products

Recommended suppliers
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
SHOCHEM(SHANGHAI) CO.,lTD
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
上海嶸奧生物技術(shù)有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
上海嶸奧生物技術(shù)有限公司
Yunnanjiuzhen
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen