贞牡荆素
TL;DR: 贞牡荆素 (CAS 479-91-4) is a chemical compound with molecular formula C19H18O8 and molecular weight 374.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
贞牡荆素
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one
Also Known As: Casticin, Vitexicarpin, Casticine, Casticin(Vitexicarpin), Casticin (Standard)
| Molecular Formula | C19H18O8 |
|---|---|
| Molecular Weight | 374.10 g/mol |
| LogP | 2.9056 |
| Topological Polar Surface Area | 107.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.10016 |
| Heavy Atoms | 27 |
| Complexity | 1067.7183 |
Chemical Identifiers
| CAS Number | 479-91-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O |
Product Overview
贞牡荆素 (CAS 479-91-4), with molecular formula C19H18O8 and molecular weight 374.10 g/mol. IUPAC: 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one.
Chemical Property Profile of 贞牡荆素
Property Insights of 贞牡荆素
The XLogP value of 2.9056 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 贞牡荆素. The TPSA of 107.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 贞牡荆素. Following Lipinski's Rule of Five, 贞牡荆素 has 2 hydrogen bond donor(s) and 8 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 贞牡荆素?
The CAS number of 贞牡荆素 is 479-91-4.
What is the molecular formula of 贞牡荆素?
The molecular formula of 贞牡荆素 is C19H18O8.
What is the molecular weight of 贞牡荆素?
The molecular weight of 贞牡荆素 is 374.10 g/mol.
Where can I buy 贞牡荆素?
You can request a quote for 贞牡荆素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 贞牡荆素?
Yes, KEHONG BIO provides custom synthesis services for 贞牡荆素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.