AF-399/13428107
TL;DR: AF-399/13428107 (CAS 302576-97-2) is a chemical compound with molecular formula C23H29NO4S and molecular weight 415.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AF-399/13428107, F3095-2581, methyl 6-methyl-2-{2-[5-methyl-2-(propan-2-yl)phenoxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 6-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(2-(2-isopropyl-5-methylphenoxy)acetamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C23H29NO4S |
|---|---|
| Molecular Weight | 415.18 g/mol |
| LogP | 5.10882 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.18173 |
| Heavy Atoms | 29 |
| Complexity | 915.8419 |
Chemical Identifiers
| CAS Number | 302576-97-2 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC3=C(C=CC(=C3)C)C(C)C |
Product Overview
AF-399/13428107 (CAS 302576-97-2), with molecular formula C23H29NO4S and molecular weight 415.18 g/mol. IUPAC: methyl 6-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AF-399/13428107
Property Insights of AF-399/13428107
The XLogP value of 5.10882 indicates that AF-399/13428107 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/13428107. Following Lipinski's Rule of Five, AF-399/13428107 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/13428107?
The CAS number of AF-399/13428107 is 302576-97-2.
What is the molecular formula of AF-399/13428107?
The molecular formula of AF-399/13428107 is C23H29NO4S.
What is the molecular weight of AF-399/13428107?
The molecular weight of AF-399/13428107 is 415.18 g/mol.
Where can I buy AF-399/13428107?
You can request a quote for AF-399/13428107 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13428107?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13428107 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.