AF-399/13428149
TL;DR: AF-399/13428149 (CAS 302802-79-5) is a chemical compound with molecular formula C21H23NO6S and molecular weight 417.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Also Known As: AF-399/13428149, dimethyl 2-{[(3,5-dimethylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, 3,4-DIMETHYL 2-[2-(3,5-DIMETHYLPHENOXY)ACETAMIDO]-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3,4-DICARBOXYLATE, dimethyl 2-(2-(3,5-dimethylphenoxy)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, dimethyl 2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
| Molecular Formula | C21H23NO6S |
|---|---|
| Molecular Weight | 417.12 g/mol |
| LogP | 3.37184 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.1246 |
| Heavy Atoms | 29 |
| Complexity | 944.07117 |
Chemical Identifiers
| CAS Number | 302802-79-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OCC(=O)NC2=C(C3=C(S2)CCC3C(=O)OC)C(=O)OC)C |
Product Overview
AF-399/13428149 (CAS 302802-79-5), with molecular formula C21H23NO6S and molecular weight 417.12 g/mol. IUPAC: dimethyl 2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate.
Chemical Property Profile of AF-399/13428149
Property Insights of AF-399/13428149
The XLogP value of 3.37184 indicates that AF-399/13428149 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/13428149. Following Lipinski's Rule of Five, AF-399/13428149 has 1 hydrogen bond donor(s) and 7 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-399/13428149?
The CAS number of AF-399/13428149 is 302802-79-5.
What is the molecular formula of AF-399/13428149?
The molecular formula of AF-399/13428149 is C21H23NO6S.
What is the molecular weight of AF-399/13428149?
The molecular weight of AF-399/13428149 is 417.12 g/mol.
Where can I buy AF-399/13428149?
You can request a quote for AF-399/13428149 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13428149?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13428149 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.