AF-399/40714522
TL;DR: AF-399/40714522 (CAS 329227-41-0) is a chemical compound with molecular formula C20H23NO4S and molecular weight 373.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(2-methylphenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: AF-399/40714522, methyl 2-{[4-(2-methylphenoxy)butanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-(4-(o-tolyloxy)butanamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, METHYL 2-[4-(2-METHYLPHENOXY)BUTANAMIDO]-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE, methyl 2-[4-(2-methylphenoxy)butanoylamino]-4,5,6-trihydrocyclopenta[2,1-b]thi ophene-3-carboxylate
| Molecular Formula | C20H23NO4S |
|---|---|
| Molecular Weight | 373.13 g/mol |
| LogP | 4.12952 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 373.13477 |
| Heavy Atoms | 26 |
| Complexity | 812.1377 |
Chemical Identifiers
| CAS Number | 329227-41-0 |
|---|---|
| SMILES | CC1=CC=CC=C1OCCCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC |
Product Overview
AF-399/40714522 (CAS 329227-41-0), with molecular formula C20H23NO4S and molecular weight 373.13 g/mol. IUPAC: methyl 2-[4-(2-methylphenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of AF-399/40714522
Property Insights of AF-399/40714522
The XLogP value of 4.12952 indicates that AF-399/40714522 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-399/40714522. Following Lipinski's Rule of Five, AF-399/40714522 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-399/40714522?
The CAS number of AF-399/40714522 is 329227-41-0.
What is the molecular formula of AF-399/40714522?
The molecular formula of AF-399/40714522 is C20H23NO4S.
What is the molecular weight of AF-399/40714522?
The molecular weight of AF-399/40714522 is 373.13 g/mol.
Where can I buy AF-399/40714522?
You can request a quote for AF-399/40714522 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40714522?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40714522 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.