AF-399/13567191
TL;DR: AF-399/13567191 (CAS 302805-49-8) is a chemical compound with molecular formula C18H18BrNO4S and molecular weight 423.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(3-bromophenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: AF-399/13567191, ethyl 2-{[(3-bromophenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-[[2-(3-bromophenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-(2-(3-bromophenoxy)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ETHYL 2-[2-(3-BROMOPHENOXY)ACETAMIDO]-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C18H18BrNO4S |
|---|---|
| Molecular Weight | 423.01 g/mol |
| LogP | 4.1935 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.01398 |
| Heavy Atoms | 25 |
| Complexity | 802.3689 |
Chemical Identifiers
| CAS Number | 302805-49-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)COC3=CC(=CC=C3)Br |
Product Overview
AF-399/13567191 (CAS 302805-49-8), with molecular formula C18H18BrNO4S and molecular weight 423.01 g/mol. IUPAC: ethyl 2-[[2-(3-bromophenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of AF-399/13567191
Property Insights of AF-399/13567191
The XLogP value of 4.1935 indicates that AF-399/13567191 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-399/13567191. Following Lipinski's Rule of Five, AF-399/13567191 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-399/13567191?
The CAS number of AF-399/13567191 is 302805-49-8.
What is the molecular formula of AF-399/13567191?
The molecular formula of AF-399/13567191 is C18H18BrNO4S.
What is the molecular weight of AF-399/13567191?
The molecular weight of AF-399/13567191 is 423.01 g/mol.
Where can I buy AF-399/13567191?
You can request a quote for AF-399/13567191 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13567191?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13567191 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.