AF-399/13428106
TL;DR: AF-399/13428106 (CAS 302576-96-1) is a chemical compound with molecular formula C19H20BrNO4S and molecular weight 437.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(4-bromophenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AF-399/13428106, methyl 2-[[2-(4-bromophenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[2-(4-bromophenoxy)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-{[(4-bromophenoxy)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(2-(4-bromophenoxy)acetamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C19H20BrNO4S |
|---|---|
| Molecular Weight | 437.03 g/mol |
| LogP | 4.4395 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.02963 |
| Heavy Atoms | 26 |
| Complexity | 815.6918 |
Chemical Identifiers
| CAS Number | 302576-96-1 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC3=CC=C(C=C3)Br |
Product Overview
AF-399/13428106 (CAS 302576-96-1), with molecular formula C19H20BrNO4S and molecular weight 437.03 g/mol. IUPAC: methyl 2-[[2-(4-bromophenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AF-399/13428106
Property Insights of AF-399/13428106
The XLogP value of 4.4395 indicates that AF-399/13428106 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-399/13428106. Following Lipinski's Rule of Five, AF-399/13428106 has 1 hydrogen bond donor(s) and 5 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-399/13428106?
The CAS number of AF-399/13428106 is 302576-96-1.
What is the molecular formula of AF-399/13428106?
The molecular formula of AF-399/13428106 is C19H20BrNO4S.
What is the molecular weight of AF-399/13428106?
The molecular weight of AF-399/13428106 is 437.03 g/mol.
Where can I buy AF-399/13428106?
You can request a quote for AF-399/13428106 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13428106?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13428106 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.