ChemDiv3_005046
TL;DR: ChemDiv3_005046 (CAS 461408-74-2) is a chemical compound with molecular formula C21H17ClN4O2S and molecular weight 424.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide
Also Known As: ChemDiv3_005046, IDI1_022956, BRD-K01835140-001-01-2, 2-[(4-chlorophenyl)sulfanyl]-N-[2-(4-methoxyphenyl)-2H-benzotriazol-5-yl]acetamide, 2-((4-chlorophenyl)thio)-N-(2-(4-methoxyphenyl)-2H-benzo[d][1,2,3]triazol-5-yl)acetamide
| Molecular Formula | C21H17ClN4O2S |
|---|---|
| Molecular Weight | 424.08 g/mol |
| LogP | 4.8133 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.07608 |
| Heavy Atoms | 29 |
| Complexity | 1143.7848 |
Chemical Identifiers
| CAS Number | 461408-74-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)CSC4=CC=C(C=C4)Cl |
Product Overview
ChemDiv3_005046 (CAS 461408-74-2), with molecular formula C21H17ClN4O2S and molecular weight 424.08 g/mol. IUPAC: 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide.
Chemical Property Profile of ChemDiv3_005046
Property Insights of ChemDiv3_005046
The XLogP value of 4.8133 indicates that ChemDiv3_005046 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005046. Following Lipinski's Rule of Five, ChemDiv3_005046 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 ChemDiv3_005046?
The CAS number of ChemDiv3_005046 is 461408-74-2.
What is the molecular formula of ChemDiv3_005046?
The molecular formula of ChemDiv3_005046 is C21H17ClN4O2S.
What is the molecular weight of ChemDiv3_005046?
The molecular weight of ChemDiv3_005046 is 424.08 g/mol.
Where can I buy ChemDiv3_005046?
You can request a quote for ChemDiv3_005046 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005046?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.