ChemDiv3_010505
TL;DR: ChemDiv3_010505 (CAS 847400-63-9) is a chemical compound with molecular formula C20H18ClN5O2S2 and molecular weight 459.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chlorophenyl)methyl]-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: ChemDiv3_010505, BRD-K05216169-001-01-7, N-[(2-chlorophenyl)methyl]-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2-chlorobenzyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-[(2-chlorophenyl)methyl]-2-({4-methyl-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
| Molecular Formula | C20H18ClN5O2S2 |
|---|---|
| Molecular Weight | 459.06 g/mol |
| LogP | 3.3017 |
| Topological Polar Surface Area | 81.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.05905 |
| Heavy Atoms | 30 |
| Complexity | 1263.5559 |
Chemical Identifiers
| CAS Number | 847400-63-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2Cl)CN3C4=CC=CC=C4SC3=O |
Product Overview
ChemDiv3_010505 (CAS 847400-63-9), with molecular formula C20H18ClN5O2S2 and molecular weight 459.06 g/mol. IUPAC: N-[(2-chlorophenyl)methyl]-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv3_010505
Property Insights of ChemDiv3_010505
The XLogP value of 3.3017 indicates that ChemDiv3_010505 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.81 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_010505. Following Lipinski's Rule of Five, ChemDiv3_010505 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 ChemDiv3_010505?
The CAS number of ChemDiv3_010505 is 847400-63-9.
What is the molecular formula of ChemDiv3_010505?
The molecular formula of ChemDiv3_010505 is C20H18ClN5O2S2.
What is the molecular weight of ChemDiv3_010505?
The molecular weight of ChemDiv3_010505 is 459.06 g/mol.
Where can I buy ChemDiv3_010505?
You can request a quote for ChemDiv3_010505 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_010505?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_010505 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.