AF-399/13806046
TL;DR: AF-399/13806046 (CAS 304451-62-5) is a chemical compound with molecular formula C16H16N4O2S and molecular weight 328.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide
Also Known As: AF-399/13806046, 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide, 2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[(5-methyl-2-furyl)methylene]acetohydrazide, 2-((1-ME-1H-BENZIMIDAZOL-2-YL)THIO)-N'-((5-ME-2-FURYL)METHYLENE)ACETOHYDRAZIDE, N-[(1E)-2-(5-methyl(2-furyl))-1-azavinyl]-2-(1-methylbenzimidazol-2-ylthio)ace tamide
| Molecular Formula | C16H16N4O2S |
|---|---|
| Molecular Weight | 328.10 g/mol |
| LogP | 2.71712 |
| Topological Polar Surface Area | 72.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.0994 |
| Heavy Atoms | 23 |
| Complexity | 865.97266 |
Chemical Identifiers
| CAS Number | 304451-62-5 |
|---|---|
| SMILES | CC1=CC=C(O1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3N2C |
Product Overview
AF-399/13806046 (CAS 304451-62-5), with molecular formula C16H16N4O2S and molecular weight 328.10 g/mol. IUPAC: 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide.
Chemical Property Profile of AF-399/13806046
Property Insights of AF-399/13806046
The XLogP value of 2.71712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/13806046. The TPSA of 72.42 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/13806046. Following Lipinski's Rule of Five, AF-399/13806046 has 1 hydrogen bond donor(s) and 5 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-399/13806046?
The CAS number of AF-399/13806046 is 304451-62-5.
What is the molecular formula of AF-399/13806046?
The molecular formula of AF-399/13806046 is C16H16N4O2S.
What is the molecular weight of AF-399/13806046?
The molecular weight of AF-399/13806046 is 328.10 g/mol.
Where can I buy AF-399/13806046?
You can request a quote for AF-399/13806046 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13806046?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13806046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.