AF-399/13428287
TL;DR: AF-399/13428287 (CAS 302803-34-5) 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.
methyl 2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: AF-399/13428287, methyl 2-{[(2-bromo-4-methylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-(2-(2-bromo-4-methylphenoxy)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, METHYL 2-[2-(2-BROMO-4-METHYLPHENOXY)ACETAMIDO]-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C18H18BrNO4S |
|---|---|
| Molecular Weight | 423.01 g/mol |
| LogP | 4.11182 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.01398 |
| Heavy Atoms | 25 |
| Complexity | 830.7238 |
Chemical Identifiers
| CAS Number | 302803-34-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC)Br |
Product Overview
AF-399/13428287 (CAS 302803-34-5), with molecular formula C18H18BrNO4S and molecular weight 423.01 g/mol. IUPAC: methyl 2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of AF-399/13428287
Property Insights of AF-399/13428287
The XLogP value of 4.11182 indicates that AF-399/13428287 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-399/13428287. Following Lipinski's Rule of Five, AF-399/13428287 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-399/13428287?
The CAS number of AF-399/13428287 is 302803-34-5.
What is the molecular formula of AF-399/13428287?
The molecular formula of AF-399/13428287 is C18H18BrNO4S.
What is the molecular weight of AF-399/13428287?
The molecular weight of AF-399/13428287 is 423.01 g/mol.
Where can I buy AF-399/13428287?
You can request a quote for AF-399/13428287 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13428287?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13428287 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.