AF-399/40806105
TL;DR: AF-399/40806105 (CAS 379236-90-5) is a chemical compound with molecular formula C25H23N3O2S2 and molecular weight 461.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-phenylacetamide
Also Known As: AF-399/40806105, 2-((4-oxo-3-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylacetamide, 2-({3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.0^{2,7}]tetradeca-1(9),2(7),5-trien-5-yl}sulfanyl)-N-phenylacetamide, F1143-0416, 2-[(3-Oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-phenylacetamide
| Molecular Formula | C25H23N3O2S2 |
|---|---|
| Molecular Weight | 461.12 g/mol |
| LogP | 5.4469 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.12317 |
| Heavy Atoms | 32 |
| Complexity | 1314.0272 |
Chemical Identifiers
| CAS Number | 379236-90-5 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
AF-399/40806105 (CAS 379236-90-5), with molecular formula C25H23N3O2S2 and molecular weight 461.12 g/mol. IUPAC: 2-[(3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-phenylacetamide.
Chemical Property Profile of AF-399/40806105
Property Insights of AF-399/40806105
The XLogP value of 5.4469 indicates that AF-399/40806105 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40806105. Following Lipinski's Rule of Five, AF-399/40806105 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-399/40806105?
The CAS number of AF-399/40806105 is 379236-90-5.
What is the molecular formula of AF-399/40806105?
The molecular formula of AF-399/40806105 is C25H23N3O2S2.
What is the molecular weight of AF-399/40806105?
The molecular weight of AF-399/40806105 is 461.12 g/mol.
Where can I buy AF-399/40806105?
You can request a quote for AF-399/40806105 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40806105?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40806105 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.