AB01305602-01
TL;DR: AB01305602-01 (CAS 862116-73-2) is a chemical compound with molecular formula C21H23ClN4O3S and molecular weight 446.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AB01305602-01, N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-ethyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-chloro-2-methoxy-5-methylphenyl)-2-((4-ethyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-ethyl-5-(3-methoxyphenyl)(1,2,4-tri azol-3-ylthio)]acetamide
| Molecular Formula | C21H23ClN4O3S |
|---|---|
| Molecular Weight | 446.12 g/mol |
| LogP | 4.67482 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.11795 |
| Heavy Atoms | 30 |
| Complexity | 1054.726 |
Chemical Identifiers
| CAS Number | 862116-73-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C(=C2)C)Cl)OC)C3=CC(=CC=C3)OC |
Product Overview
AB01305602-01 (CAS 862116-73-2), with molecular formula C21H23ClN4O3S and molecular weight 446.12 g/mol. IUPAC: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AB01305602-01
Property Insights of AB01305602-01
The XLogP value of 4.67482 indicates that AB01305602-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01305602-01. Following Lipinski's Rule of Five, AB01305602-01 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 AB01305602-01?
The CAS number of AB01305602-01 is 862116-73-2.
What is the molecular formula of AB01305602-01?
The molecular formula of AB01305602-01 is C21H23ClN4O3S.
What is the molecular weight of AB01305602-01?
The molecular weight of AB01305602-01 is 446.12 g/mol.
Where can I buy AB01305602-01?
You can request a quote for AB01305602-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01305602-01?
Yes, KEHONG BIO provides custom synthesis services for AB01305602-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.