AF-399/13567247
TL;DR: AF-399/13567247 (CAS 302805-63-6) is a chemical compound with molecular formula C19H22BrNO6S and molecular weight 471.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: AF-399/13567247, ethyl 2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate, ETHYL 2-(2-BROMO-3,4,5-TRIMETHOXYBENZAMIDO)-4,5-DIMETHYLTHIOPHENE-3-CARBOXYLATE, ethyl 2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[(2-bromo-3,4,5-trimethoxyphenyl)carbonylamino]-4,5-dimethylthiophene- 3-carboxylate
| Molecular Formula | C19H22BrNO6S |
|---|---|
| Molecular Weight | 471.04 g/mol |
| LogP | 4.58224 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 471.03513 |
| Heavy Atoms | 28 |
| Complexity | 908.5593 |
Chemical Identifiers
| CAS Number | 302805-63-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC |
Product Overview
AF-399/13567247 (CAS 302805-63-6), with molecular formula C19H22BrNO6S and molecular weight 471.04 g/mol. IUPAC: ethyl 2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of AF-399/13567247
Property Insights of AF-399/13567247
The XLogP value of 4.58224 indicates that AF-399/13567247 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/13567247. Following Lipinski's Rule of Five, AF-399/13567247 has 1 hydrogen bond donor(s) and 7 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 AF-399/13567247?
The CAS number of AF-399/13567247 is 302805-63-6.
What is the molecular formula of AF-399/13567247?
The molecular formula of AF-399/13567247 is C19H22BrNO6S.
What is the molecular weight of AF-399/13567247?
The molecular weight of AF-399/13567247 is 471.04 g/mol.
Where can I buy AF-399/13567247?
You can request a quote for AF-399/13567247 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13567247?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13567247 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.