AF-399/13428146
TL;DR: AF-399/13428146 (CAS 302802-74-0) is a chemical compound with molecular formula C19H17Cl2NO6S and molecular weight 457.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Also Known As: AF-399/13428146, dimethyl 2-(2-(2,4-dichlorophenoxy)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, dimethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, dimethyl 2-{[(2,4-dichlorophenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, 3,4-DIMETHYL 2-[2-(2,4-DICHLOROPHENOXY)ACETAMIDO]-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3,4-DICARBOXYLATE
| Molecular Formula | C19H17Cl2NO6S |
|---|---|
| Molecular Weight | 457.02 g/mol |
| LogP | 4.0618 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.01535 |
| Heavy Atoms | 29 |
| Complexity | 973.84924 |
Chemical Identifiers
| CAS Number | 302802-74-0 |
|---|---|
| SMILES | COC(=O)C1CCC2=C1C(=C(S2)NC(=O)COC3=C(C=C(C=C3)Cl)Cl)C(=O)OC |
Product Overview
AF-399/13428146 (CAS 302802-74-0), with molecular formula C19H17Cl2NO6S and molecular weight 457.02 g/mol. IUPAC: dimethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate.
Chemical Property Profile of AF-399/13428146
Property Insights of AF-399/13428146
The XLogP value of 4.0618 indicates that AF-399/13428146 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-399/13428146. Following Lipinski's Rule of Five, AF-399/13428146 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-399/13428146?
The CAS number of AF-399/13428146 is 302802-74-0.
What is the molecular formula of AF-399/13428146?
The molecular formula of AF-399/13428146 is C19H17Cl2NO6S.
What is the molecular weight of AF-399/13428146?
The molecular weight of AF-399/13428146 is 457.02 g/mol.
Where can I buy AF-399/13428146?
You can request a quote for AF-399/13428146 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13428146?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13428146 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.