Shikonofuran B
TL;DR: Shikonofuran B (CAS 85022-65-7) is a chemical compound with molecular formula C21H26O5 and molecular weight 358.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[5-(2,5-dihydroxyphenyl)furan-3-yl]-4-methylpent-3-enyl] 2-methylbutanoate
Also Known As: Shikonofuran B, [1-[5-3-furanyl]-4-methyl-3-penten-1-yl]2-methylbutanoate, [1-[5-(2,5-Dihydroxyphenyl)-3-furanyl]-4-methyl-3-penten-1-yl]2-methylbutanoate, [1-[5-(2,5-dihydroxyphenyl)furan-3-yl]-4-methylpent-3-enyl] 2-methylbutanoate, 1-[5-(2,5-dihydroxyphenyl)furan-3-yl]-4-methylpent-3-en-1-yl 2-methylbutanoate
| Molecular Formula | C21H26O5 |
|---|---|
| Molecular Weight | 358.18 g/mol |
| LogP | 5.3445 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.178 |
| Heavy Atoms | 26 |
| Complexity | 783.44916 |
Chemical Identifiers
| CAS Number | 85022-65-7 |
|---|---|
| SMILES | CCC(C)C(=O)OC(CC=C(C)C)C1=COC(=C1)C2=C(C=CC(=C2)O)O |
Product Overview
Shikonofuran B (CAS 85022-65-7), with molecular formula C21H26O5 and molecular weight 358.18 g/mol. IUPAC: [1-[5-(2,5-dihydroxyphenyl)furan-3-yl]-4-methylpent-3-enyl] 2-methylbutanoate.
Chemical Property Profile of Shikonofuran B
Property Insights of Shikonofuran B
The XLogP value of 5.3445 indicates that Shikonofuran B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Shikonofuran B. Following Lipinski's Rule of Five, Shikonofuran B has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Shikonofuran B?
The CAS number of Shikonofuran B is 85022-65-7.
What is the molecular formula of Shikonofuran B?
The molecular formula of Shikonofuran B is C21H26O5.
What is the molecular weight of Shikonofuran B?
The molecular weight of Shikonofuran B is 358.18 g/mol.
Where can I buy Shikonofuran B?
You can request a quote for Shikonofuran B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Shikonofuran B?
Yes, KEHONG BIO provides custom synthesis services for Shikonofuran B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.