AF-399/42093398
TL;DR: AF-399/42093398 (CAS 620563-46-4) is a chemical compound with molecular formula C20H25NO3S2 and molecular weight 391.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide
Also Known As: AF-399/42093398, 4-tert-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)benzamide, 4-tert-butyl-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide, 4-(tert-butyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)benzamide, 4-tert-butyl-N-(1,1-dioxidotetrahydro-3-thienyl)-N-(2-thienylmethyl)benzamide
| Molecular Formula | C20H25NO3S2 |
|---|---|
| Molecular Weight | 391.13 g/mol |
| LogP | 3.8751 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.1276 |
| Heavy Atoms | 26 |
| Complexity | 862.78015 |
Chemical Identifiers
| CAS Number | 620563-46-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)N(CC2=CC=CS2)C3CCS(=O)(=O)C3 |
Product Overview
AF-399/42093398 (CAS 620563-46-4), with molecular formula C20H25NO3S2 and molecular weight 391.13 g/mol. IUPAC: 4-tert-butyl-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)benzamide.
Chemical Property Profile of AF-399/42093398
Property Insights of AF-399/42093398
The XLogP value of 3.8751 indicates that AF-399/42093398 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.45 Ų, AF-399/42093398 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/42093398 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-399/42093398?
The CAS number of AF-399/42093398 is 620563-46-4.
What is the molecular formula of AF-399/42093398?
The molecular formula of AF-399/42093398 is C20H25NO3S2.
What is the molecular weight of AF-399/42093398?
The molecular weight of AF-399/42093398 is 391.13 g/mol.
Where can I buy AF-399/42093398?
You can request a quote for AF-399/42093398 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42093398?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42093398 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.