茶痂衣酸
TL;DR: 茶痂衣酸 (CAS 7299-11-8) 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.
茶痂衣酸
10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-1-carboxylic acid
Also Known As: Psoromic acid, Parellic acid, PSOROMICACID, Parellic acid, 3, Psoromic acid (parellic acid)
| Molecular Formula | C18H14O8 |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.06888 |
| Heavy Atoms | 26 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 7299-11-8 |
|---|---|
| SMILES | CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=CC(=C3C)OC)C(=O)O)C=O)O |
| InChIKey | FUCWJKJZOHOLEO-UHFFFAOYSA-N |
Product Overview
茶痂衣酸 (CAS 7299-11-8), with molecular formula C18H14O8 and molecular weight 358.07 g/mol. IUPAC: 10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-1-carboxylic acid.
Chemical Property Profile of 茶痂衣酸
Property Insights of 茶痂衣酸
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 茶痂衣酸. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 茶痂衣酸. Following Lipinski's Rule of Five, 茶痂衣酸 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 茶痂衣酸?
The CAS number of 茶痂衣酸 is 7299-11-8.
What is the molecular formula of 茶痂衣酸?
The molecular formula of 茶痂衣酸 is C18H14O8.
What is the molecular weight of 茶痂衣酸?
The molecular weight of 茶痂衣酸 is 358.07 g/mol.
Where can I buy 茶痂衣酸?
You can request a quote for 茶痂衣酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 茶痂衣酸?
Yes, KEHONG BIO provides custom synthesis services for 茶痂衣酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.