AF-399/42093637
TL;DR: AF-399/42093637 (CAS 587003-01-8) is a chemical compound with molecular formula C24H31NO4S and molecular weight 429.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]-4-(2-methylpropoxy)benzamide
Also Known As: AF-399/42093637, N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-4-(2-methylpropoxy)benzamide, N-(1,1-dioxidotetrahydro-3-thienyl)-N-(4-ethylbenzyl)-4-isobutoxybenzamide, N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-4-isobutoxybenzamide, N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]-4-(2-methylpropoxy)benzamide
| Molecular Formula | C24H31NO4S |
|---|---|
| Molecular Weight | 429.20 g/mol |
| LogP | 4.1133 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.1974 |
| Heavy Atoms | 30 |
| Complexity | 949.7054 |
Chemical Identifiers
| CAS Number | 587003-01-8 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=C(C=C3)OCC(C)C |
Product Overview
AF-399/42093637 (CAS 587003-01-8), with molecular formula C24H31NO4S and molecular weight 429.20 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]-4-(2-methylpropoxy)benzamide.
Chemical Property Profile of AF-399/42093637
Property Insights of AF-399/42093637
The XLogP value of 4.1133 indicates that AF-399/42093637 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42093637. Following Lipinski's Rule of Five, AF-399/42093637 has 0 hydrogen bond donor(s) and 4 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-399/42093637?
The CAS number of AF-399/42093637 is 587003-01-8.
What is the molecular formula of AF-399/42093637?
The molecular formula of AF-399/42093637 is C24H31NO4S.
What is the molecular weight of AF-399/42093637?
The molecular weight of AF-399/42093637 is 429.20 g/mol.
Where can I buy AF-399/42093637?
You can request a quote for AF-399/42093637 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42093637?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42093637 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.