AF-399/13806078
TL;DR: AF-399/13806078 (CAS 314286-54-9) is a chemical compound with molecular formula C22H19ClN4OS2 and molecular weight 454.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
Also Known As: AF-399/13806078, 2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide, 2-{[1-(2-chlorobenzyl)-1H-benzimidazol-2-yl]sulfanyl}-N'-[(3-methyl-2-thienyl)methylene]acetohydrazide, (Z)-2-((1-(2-chlorobenzyl)-1H-benzo[d]imidazol-2-yl)thio)-N'-((3-methylthiophen-2-yl)methylene)acetohydrazide
| Molecular Formula | C22H19ClN4OS2 |
|---|---|
| Molecular Weight | 454.07 g/mol |
| LogP | 5.35032 |
| Topological Polar Surface Area | 59.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.06888 |
| Heavy Atoms | 30 |
| Complexity | 1214.807 |
Chemical Identifiers
| CAS Number | 314286-54-9 |
|---|---|
| SMILES | CC1=C(SC=C1)/C=N\NC(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4Cl |
Product Overview
AF-399/13806078 (CAS 314286-54-9), with molecular formula C22H19ClN4OS2 and molecular weight 454.07 g/mol. IUPAC: 2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide.
Chemical Property Profile of AF-399/13806078
Property Insights of AF-399/13806078
The XLogP value of 5.35032 indicates that AF-399/13806078 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.28 Ų, AF-399/13806078 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/13806078 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-399/13806078?
The CAS number of AF-399/13806078 is 314286-54-9.
What is the molecular formula of AF-399/13806078?
The molecular formula of AF-399/13806078 is C22H19ClN4OS2.
What is the molecular weight of AF-399/13806078?
The molecular weight of AF-399/13806078 is 454.07 g/mol.
Where can I buy AF-399/13806078?
You can request a quote for AF-399/13806078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13806078?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13806078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.