AF-399/13428153
TL;DR: AF-399/13428153 (CAS 302802-82-0) is a chemical compound with molecular formula C23H27NO6S and molecular weight 445.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Also Known As: AF-399/13428153, dimethyl 2-{[(2-tert-butylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, dimethyl 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, 3,4-dimethyl 2-[2-(2-tert-butylphenoxy)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate, dimethyl 2-(2-(2-(tert-butyl)phenoxy)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
| Molecular Formula | C23H27NO6S |
|---|---|
| Molecular Weight | 445.16 g/mol |
| LogP | 4.0525 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.1559 |
| Heavy Atoms | 31 |
| Complexity | 1003.981 |
Chemical Identifiers
| CAS Number | 302802-82-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=CC=C1OCC(=O)NC2=C(C3=C(S2)CCC3C(=O)OC)C(=O)OC |
Product Overview
AF-399/13428153 (CAS 302802-82-0), with molecular formula C23H27NO6S and molecular weight 445.16 g/mol. IUPAC: dimethyl 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate.
Chemical Property Profile of AF-399/13428153
Property Insights of AF-399/13428153
The XLogP value of 4.0525 indicates that AF-399/13428153 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-399/13428153. Following Lipinski's Rule of Five, AF-399/13428153 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-399/13428153?
The CAS number of AF-399/13428153 is 302802-82-0.
What is the molecular formula of AF-399/13428153?
The molecular formula of AF-399/13428153 is C23H27NO6S.
What is the molecular weight of AF-399/13428153?
The molecular weight of AF-399/13428153 is 445.16 g/mol.
Where can I buy AF-399/13428153?
You can request a quote for AF-399/13428153 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13428153?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13428153 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.