AF-399/41415155
TL;DR: AF-399/41415155 (CAS 488100-97-6) is a chemical compound with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide
Also Known As: AF-399/41415155, N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((3-cyano-4,6-dimethylpyridin-2-yl)thio)acetamide
| Molecular Formula | C18H17N3O3S |
|---|---|
| Molecular Weight | 355.10 g/mol |
| LogP | 2.70732 |
| Topological Polar Surface Area | 84.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.09906 |
| Heavy Atoms | 25 |
| Complexity | 861.3753 |
Chemical Identifiers
| CAS Number | 488100-97-6 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCC(=O)NCC2=CC3=C(C=C2)OCO3)C |
Product Overview
AF-399/41415155 (CAS 488100-97-6), with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide.
Chemical Property Profile of AF-399/41415155
Property Insights of AF-399/41415155
The XLogP value of 2.70732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/41415155. The TPSA of 84.24 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41415155. Following Lipinski's Rule of Five, AF-399/41415155 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-399/41415155?
The CAS number of AF-399/41415155 is 488100-97-6.
What is the molecular formula of AF-399/41415155?
The molecular formula of AF-399/41415155 is C18H17N3O3S.
What is the molecular weight of AF-399/41415155?
The molecular weight of AF-399/41415155 is 355.10 g/mol.
Where can I buy AF-399/41415155?
You can request a quote for AF-399/41415155 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41415155?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41415155 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.