原紫草酸
TL;DR: 原紫草酸 (CAS 136112-75-9) is a chemical compound with molecular formula C18H14O8 and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
原紫草酸
(2S,3S)-4-[(E)-2-carboxyethenyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid
Also Known As: prolithospermic acid, 8-Epiblechnic acid, Przewalskinic acid A, (1R)-1-(4-CYCLOPENTYLOXYPHENYL)ETHYLAMINE, (2S)-4-[(E)-2-Carboxyethenyl]-2,3-dihydro-7-hydroxy-2alpha-(3,4-dihydroxyphenyl)benzofuran-3beta-carboxylic acid
| Molecular Formula | C18H14O8 |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | 2.2031 |
| Topological Polar Surface Area | 144.52 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.06888 |
| Heavy Atoms | 26 |
| Complexity | 931.0286 |
Chemical Identifiers
| CAS Number | 136112-75-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1[C@@H]2[C@H](C3=C(C=CC(=C3O2)O)/C=C/C(=O)O)C(=O)O)O)O |
Product Overview
原紫草酸 (CAS 136112-75-9), with molecular formula C18H14O8 and molecular weight 358.07 g/mol. IUPAC: (2S,3S)-4-[(E)-2-carboxyethenyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid.
Chemical Property Profile of 原紫草酸
Property Insights of 原紫草酸
The XLogP value of 2.2031 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 原紫草酸. The TPSA of 144.52 Ų indicates high polarity, suggesting 原紫草酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 原紫草酸 has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 原紫草酸?
The CAS number of 原紫草酸 is 136112-75-9.
What is the molecular formula of 原紫草酸?
The molecular formula of 原紫草酸 is C18H14O8.
What is the molecular weight of 原紫草酸?
The molecular weight of 原紫草酸 is 358.07 g/mol.
Where can I buy 原紫草酸?
You can request a quote for 原紫草酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 原紫草酸?
Yes, KEHONG BIO provides custom synthesis services for 原紫草酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.