鬼臼酸
TL;DR: 鬼臼酸 (CAS 1853-37-8) is a chemical compound with molecular formula C22H24O9 and molecular weight 432.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
鬼臼酸
(6R,7R)-9-hydroxy-7-(hydroxymethyl)-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylic acid
Also Known As: Podophyllic acid, Podophyllinic acid, Diaethyl-(2-chlor-1-(2,4-dichlorphenyl))-vinyl-phosphat [German], (6R,7R)-9-Hydroxy-7-(hydroxymethyl)-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-2H-naphtho[2,3-d][1,3]dioxole-6-carboxylic acid, (6R,7R)-9-hydroxy-7-(hydroxymethyl)-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylic acid
| Molecular Formula | C22H24O9 |
|---|---|
| Molecular Weight | 432.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.14203 |
| Heavy Atoms | 31 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 1853-37-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=C3C(=C(C4=C2C[C@H]([C@@H](C4)CO)C(=O)O)O)OCO3 |
| InChIKey | WOCCXYCZVLIOOH-NWDGAFQWSA-N |
Product Overview
鬼臼酸 (CAS 1853-37-8), with molecular formula C22H24O9 and molecular weight 432.14 g/mol. IUPAC: (6R,7R)-9-hydroxy-7-(hydroxymethyl)-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylic acid.
Chemical Property Profile of 鬼臼酸
Property Insights of 鬼臼酸
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 鬼臼酸. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 鬼臼酸. Following Lipinski's Rule of Five, 鬼臼酸 has 3 hydrogen bond donor(s) and 9 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 鬼臼酸?
The CAS number of 鬼臼酸 is 1853-37-8.
What is the molecular formula of 鬼臼酸?
The molecular formula of 鬼臼酸 is C22H24O9.
What is the molecular weight of 鬼臼酸?
The molecular weight of 鬼臼酸 is 432.14 g/mol.
Where can I buy 鬼臼酸?
You can request a quote for 鬼臼酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 鬼臼酸?
Yes, KEHONG BIO provides custom synthesis services for 鬼臼酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.