AF-399/13428108
TL;DR: AF-399/13428108 (CAS 302576-98-3) is a chemical compound with molecular formula C20H23NO5S and molecular weight 389.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AF-399/13428108, methyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-{[(4-methoxyphenoxy)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(2-(4-methoxyphenoxy)acetamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[2-(4-methoxyphenoxy)acetylamino]-6-methyl-4,5,6,7-tetrahydrobenzo[b] thiophene-3-carboxylate
| Molecular Formula | C20H23NO5S |
|---|---|
| Molecular Weight | 389.13 g/mol |
| LogP | 3.6856 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.1297 |
| Heavy Atoms | 27 |
| Complexity | 827.64276 |
Chemical Identifiers
| CAS Number | 302576-98-3 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC3=CC=C(C=C3)OC |
Product Overview
AF-399/13428108 (CAS 302576-98-3), with molecular formula C20H23NO5S and molecular weight 389.13 g/mol. IUPAC: methyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AF-399/13428108
Property Insights of AF-399/13428108
The XLogP value of 3.6856 indicates that AF-399/13428108 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/13428108. Following Lipinski's Rule of Five, AF-399/13428108 has 1 hydrogen bond donor(s) and 6 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-399/13428108?
The CAS number of AF-399/13428108 is 302576-98-3.
What is the molecular formula of AF-399/13428108?
The molecular formula of AF-399/13428108 is C20H23NO5S.
What is the molecular weight of AF-399/13428108?
The molecular weight of AF-399/13428108 is 389.13 g/mol.
Where can I buy AF-399/13428108?
You can request a quote for AF-399/13428108 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13428108?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13428108 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.