AB00728391-01
TL;DR: AB00728391-01 (CAS 790239-27-9) is a chemical compound with molecular formula C22H23ClN6OS and molecular weight 454.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(benzimidazol-1-ylmethyl)-4-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide
Also Known As: AB00728391-01, 2-[[5-(benzimidazol-1-ylmethyl)-4-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide
| Molecular Formula | C22H23ClN6OS |
|---|---|
| Molecular Weight | 454.13 g/mol |
| LogP | 4.2792 |
| Topological Polar Surface Area | 68.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.13425 |
| Heavy Atoms | 31 |
| Complexity | 1199.6646 |
Chemical Identifiers
| CAS Number | 790239-27-9 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC1=NN=C(N1C2=CC=CC=C2Cl)CN3C=NC4=CC=CC=C43 |
Product Overview
AB00728391-01 (CAS 790239-27-9), with molecular formula C22H23ClN6OS and molecular weight 454.13 g/mol. IUPAC: 2-[[5-(benzimidazol-1-ylmethyl)-4-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide.
Chemical Property Profile of AB00728391-01
Property Insights of AB00728391-01
The XLogP value of 4.2792 indicates that AB00728391-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.84 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00728391-01. Following Lipinski's Rule of Five, AB00728391-01 has 0 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 AB00728391-01?
The CAS number of AB00728391-01 is 790239-27-9.
What is the molecular formula of AB00728391-01?
The molecular formula of AB00728391-01 is C22H23ClN6OS.
What is the molecular weight of AB00728391-01?
The molecular weight of AB00728391-01 is 454.13 g/mol.
Where can I buy AB00728391-01?
You can request a quote for AB00728391-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00728391-01?
Yes, KEHONG BIO provides custom synthesis services for AB00728391-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.