AB00756201-01
TL;DR: AB00756201-01 (CAS 876710-71-3) is a chemical compound with molecular formula C21H22ClN3O4S and molecular weight 447.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone
Also Known As: AB00756201-01, AB00756201-02, 2-[[5-(4-Chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]thio]-1-(3,4-dimethoxyphenyl)ethanone, 2-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone, 2-{[5-(4-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethan-1-one
| Molecular Formula | C21H22ClN3O4S |
|---|---|
| Molecular Weight | 447.10 g/mol |
| LogP | 4.2371 |
| Topological Polar Surface Area | 75.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 447.10196 |
| Heavy Atoms | 30 |
| Complexity | 1007.98615 |
Chemical Identifiers
| CAS Number | 876710-71-3 |
|---|---|
| SMILES | COCCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)Cl |
Product Overview
AB00756201-01 (CAS 876710-71-3), with molecular formula C21H22ClN3O4S and molecular weight 447.10 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone.
Chemical Property Profile of AB00756201-01
Property Insights of AB00756201-01
The XLogP value of 4.2371 indicates that AB00756201-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.47 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00756201-01. Following Lipinski's Rule of Five, AB00756201-01 has 0 hydrogen bond donor(s) and 7 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 AB00756201-01?
The CAS number of AB00756201-01 is 876710-71-3.
What is the molecular formula of AB00756201-01?
The molecular formula of AB00756201-01 is C21H22ClN3O4S.
What is the molecular weight of AB00756201-01?
The molecular weight of AB00756201-01 is 447.10 g/mol.
Where can I buy AB00756201-01?
You can request a quote for AB00756201-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00756201-01?
Yes, KEHONG BIO provides custom synthesis services for AB00756201-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.