AF-399/42796673
TL;DR: AF-399/42796673 (CAS 5291-99-6) is a chemical compound with molecular formula C16H12Cl2N4OS2 and molecular weight 409.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrimidin-2-ylsulfanylacetamide
Also Known As: AF-399/42796673, N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrimidin-2-ylsulfanylacetamide, N-[5-(3,5-dichlorobenzyl)-1,3-thiazol-2-yl]-2-(2-pyrimidinylsulfanyl)acetamide, N-[5-(3,5-dichlorobenzyl)-1,3-thiazol-2-yl]-2-(pyrimidin-2-ylsulfanyl)acetamide, N-{5-[(3,5-dichlorophenyl)methyl](1,3-thiazol-2-yl)}-2-pyrimidin-2-ylthioaceta mide
| Molecular Formula | C16H12Cl2N4OS2 |
|---|---|
| Molecular Weight | 409.98 g/mol |
| LogP | 4.5615 |
| Topological Polar Surface Area | 67.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.98297 |
| Heavy Atoms | 25 |
| Complexity | 853.3311 |
Chemical Identifiers
| CAS Number | 5291-99-6 |
|---|---|
| SMILES | C1=CN=C(N=C1)SCC(=O)NC2=NC=C(S2)CC3=CC(=CC(=C3)Cl)Cl |
Product Overview
AF-399/42796673 (CAS 5291-99-6), with molecular formula C16H12Cl2N4OS2 and molecular weight 409.98 g/mol. IUPAC: N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrimidin-2-ylsulfanylacetamide.
Chemical Property Profile of AF-399/42796673
Property Insights of AF-399/42796673
The XLogP value of 4.5615 indicates that AF-399/42796673 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.77 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42796673. Following Lipinski's Rule of Five, AF-399/42796673 has 1 hydrogen bond donor(s) and 6 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-399/42796673?
The CAS number of AF-399/42796673 is 5291-99-6.
What is the molecular formula of AF-399/42796673?
The molecular formula of AF-399/42796673 is C16H12Cl2N4OS2.
What is the molecular weight of AF-399/42796673?
The molecular weight of AF-399/42796673 is 409.98 g/mol.
Where can I buy AF-399/42796673?
You can request a quote for AF-399/42796673 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42796673?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42796673 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.