AF-399/13428274
TL;DR: AF-399/13428274 (CAS 5972-32-7) is a chemical compound with molecular formula C17H16BrNO4S and molecular weight 409.00 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]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: AF-399/13428274, methyl 2-{[(4-bromophenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[[2-(4-bromophenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, Methyl 2-[2-(4-bromophenoxy)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[2-(4-bromophenoxy)acetylamino]-4,5,6-trihydrocyclopenta[2,1-b]thioph ene-3-carboxylate
| Molecular Formula | C17H16BrNO4S |
|---|---|
| Molecular Weight | 409.00 g/mol |
| LogP | 3.8034 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.99835 |
| Heavy Atoms | 24 |
| Complexity | 769.6429 |
Chemical Identifiers
| CAS Number | 5972-32-7 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=O)COC3=CC=C(C=C3)Br |
Product Overview
AF-399/13428274 (CAS 5972-32-7), with molecular formula C17H16BrNO4S and molecular weight 409.00 g/mol. IUPAC: methyl 2-[[2-(4-bromophenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of AF-399/13428274
Property Insights of AF-399/13428274
The XLogP value of 3.8034 indicates that AF-399/13428274 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-399/13428274. Following Lipinski's Rule of Five, AF-399/13428274 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-399/13428274?
The CAS number of AF-399/13428274 is 5972-32-7.
What is the molecular formula of AF-399/13428274?
The molecular formula of AF-399/13428274 is C17H16BrNO4S.
What is the molecular weight of AF-399/13428274?
The molecular weight of AF-399/13428274 is 409.00 g/mol.
Where can I buy AF-399/13428274?
You can request a quote for AF-399/13428274 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13428274?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13428274 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.