AF-399/40684174
TL;DR: AF-399/40684174 (CAS 379236-20-1) is a chemical compound with molecular formula C19H17ClFN3OS2 and molecular weight 421.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
Also Known As: AF-399/40684174, F1143-4703, N-(3-chloro-4-fluorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide, N-(3-chloro-4-fluorophenyl)-2-({5-methyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-yl}sulfanyl)acetamide, N-(3-chloro-4-fluorophenyl)-2-((2-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide
| Molecular Formula | C19H17ClFN3OS2 |
|---|---|
| Molecular Weight | 421.05 g/mol |
| LogP | 5.40182 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.04855 |
| Heavy Atoms | 27 |
| Complexity | 1037.4569 |
Chemical Identifiers
| CAS Number | 379236-20-1 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC(=O)NC4=CC(=C(C=C4)F)Cl |
Product Overview
AF-399/40684174 (CAS 379236-20-1), with molecular formula C19H17ClFN3OS2 and molecular weight 421.05 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide.
Chemical Property Profile of AF-399/40684174
Property Insights of AF-399/40684174
The XLogP value of 5.40182 indicates that AF-399/40684174 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, AF-399/40684174 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/40684174 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40684174?
The CAS number of AF-399/40684174 is 379236-20-1.
What is the molecular formula of AF-399/40684174?
The molecular formula of AF-399/40684174 is C19H17ClFN3OS2.
What is the molecular weight of AF-399/40684174?
The molecular weight of AF-399/40684174 is 421.05 g/mol.
Where can I buy AF-399/40684174?
You can request a quote for AF-399/40684174 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40684174?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40684174 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.