Isosalvianolic acid B
TL;DR: Isosalvianolic acid B (CAS 1638738-76-7) is a chemical compound with molecular formula C36H30O16 and molecular weight 718.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-3-[3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
Also Known As: Isosalvianolic acid B, IsosalvianolicacidB, Lithospermate B, Salvianolic acid B, Isosalvianolic-acid-B
| Molecular Formula | C36H30O16 |
|---|---|
| Molecular Weight | 718.15 g/mol |
| LogP | 3.3345 |
| Topological Polar Surface Area | 278.04 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 12 |
| Exact Mass | 718.1534 |
| Heavy Atoms | 52 |
| Complexity | 2087.0496 |
Chemical Identifiers
| CAS Number | 1638738-76-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1CC(C(=O)O)OC(=O)/C=C/C2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O |
Product Overview
Isosalvianolic acid B (CAS 1638738-76-7), with molecular formula C36H30O16 and molecular weight 718.15 g/mol. IUPAC: 2-[(E)-3-[3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid.
Chemical Property Profile of Isosalvianolic acid B
Property Insights of Isosalvianolic acid B
The XLogP value of 3.3345 indicates that Isosalvianolic acid B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 278.04 Ų indicates high polarity, suggesting Isosalvianolic acid B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isosalvianolic acid B has 9 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isosalvianolic acid B?
The CAS number of Isosalvianolic acid B is 1638738-76-7.
What is the molecular formula of Isosalvianolic acid B?
The molecular formula of Isosalvianolic acid B is C36H30O16.
What is the molecular weight of Isosalvianolic acid B?
The molecular weight of Isosalvianolic acid B is 718.15 g/mol.
Where can I buy Isosalvianolic acid B?
You can request a quote for Isosalvianolic acid B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isosalvianolic acid B?
Yes, KEHONG BIO provides custom synthesis services for Isosalvianolic acid B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.