AF-399/41418395
TL;DR: AF-399/41418395 (CAS 496777-31-2) is a chemical compound with molecular formula C21H26N2O6S2 and molecular weight 466.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-methoxy-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: AF-399/41418395, ethyl 2-(2-methoxy-5-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5-dimethylthiophene-3-carboxylate, F1227-0063, ETHYL 2-[2-METHOXY-5-(PYRROLIDINE-1-SULFONYL)BENZAMIDO]-4,5-DIMETHYLTHIOPHENE-3-CARBOXYLATE, ethyl 2-[(2-methoxy-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C21H26N2O6S2 |
|---|---|
| Molecular Weight | 466.12 g/mol |
| LogP | 3.58704 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 466.12323 |
| Heavy Atoms | 31 |
| Complexity | 1101.3135 |
Chemical Identifiers
| CAS Number | 496777-31-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)OC |
Product Overview
AF-399/41418395 (CAS 496777-31-2), with molecular formula C21H26N2O6S2 and molecular weight 466.12 g/mol. IUPAC: ethyl 2-[(2-methoxy-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of AF-399/41418395
Property Insights of AF-399/41418395
The XLogP value of 3.58704 indicates that AF-399/41418395 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41418395. Following Lipinski's Rule of Five, AF-399/41418395 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-399/41418395?
The CAS number of AF-399/41418395 is 496777-31-2.
What is the molecular formula of AF-399/41418395?
The molecular formula of AF-399/41418395 is C21H26N2O6S2.
What is the molecular weight of AF-399/41418395?
The molecular weight of AF-399/41418395 is 466.12 g/mol.
Where can I buy AF-399/41418395?
You can request a quote for AF-399/41418395 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41418395?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41418395 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.