AF-399/13806196
TL;DR: AF-399/13806196 (CAS 314067-09-9) is a chemical compound with molecular formula C23H21N5OS and molecular weight 415.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
Also Known As: AF-399/13806196, 2-{[1-(4-methylbenzyl)-1H-benzimidazol-2-yl]sulfanyl}-N'-(4-pyridinylmethylene)acetohydrazide, 2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(E)-pyridin-4-ylmethylideneamino]acetamide, (E)-2-((1-(4-methylbenzyl)-1H-benzo[d]imidazol-2-yl)thio)-N'-(pyridin-4-ylmethylene)acetohydrazide, 2-{[1-(4-methylbenzyl)-1H-benzimidazol-2-yl]sulfanyl}-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide
| Molecular Formula | C23H21N5OS |
|---|---|
| Molecular Weight | 415.15 g/mol |
| LogP | 4.03042 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.14667 |
| Heavy Atoms | 30 |
| Complexity | 1169.4103 |
Chemical Identifiers
| CAS Number | 314067-09-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCC(=O)N/N=C/C4=CC=NC=C4 |
Product Overview
AF-399/13806196 (CAS 314067-09-9), with molecular formula C23H21N5OS and molecular weight 415.15 g/mol. IUPAC: 2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(E)-pyridin-4-ylmethylideneamino]acetamide.
Chemical Property Profile of AF-399/13806196
Property Insights of AF-399/13806196
The XLogP value of 4.03042 indicates that AF-399/13806196 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.17 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/13806196. Following Lipinski's Rule of Five, AF-399/13806196 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-399/13806196?
The CAS number of AF-399/13806196 is 314067-09-9.
What is the molecular formula of AF-399/13806196?
The molecular formula of AF-399/13806196 is C23H21N5OS.
What is the molecular weight of AF-399/13806196?
The molecular weight of AF-399/13806196 is 415.15 g/mol.
Where can I buy AF-399/13806196?
You can request a quote for AF-399/13806196 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13806196?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13806196 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.