紫草酸
TL;DR: 紫草酸 (CAS 1607436-76-9) is a chemical compound with molecular formula C27H22O12 and molecular weight 538.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
紫草酸
(2S,3S)-4-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid
Also Known As: Lithospermic acid, monardic acid A, (+)-Lithospermic acid, Lithospermic-acid, lithiospermic acid
| Molecular Formula | C27H22O12 |
|---|---|
| Molecular Weight | 538.11 g/mol |
| LogP | 2.7688 |
| Topological Polar Surface Area | 211.28 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 538.11115 |
| Heavy Atoms | 39 |
| Complexity | 1492.3231 |
Chemical Identifiers
| CAS Number | 1607436-76-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=C3[C@@H]([C@H](OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O)O)O |
Product Overview
紫草酸 (CAS 1607436-76-9), with molecular formula C27H22O12 and molecular weight 538.11 g/mol. IUPAC: (2S,3S)-4-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid.
Chemical Property Profile of 紫草酸
Property Insights of 紫草酸
The XLogP value of 2.7688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 紫草酸. The TPSA of 211.28 Ų indicates high polarity, suggesting 紫草酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 紫草酸 has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 紫草酸?
The CAS number of 紫草酸 is 1607436-76-9.
What is the molecular formula of 紫草酸?
The molecular formula of 紫草酸 is C27H22O12.
What is the molecular weight of 紫草酸?
The molecular weight of 紫草酸 is 538.11 g/mol.
Where can I buy 紫草酸?
You can request a quote for 紫草酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 紫草酸?
Yes, KEHONG BIO provides custom synthesis services for 紫草酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.