starbld0004180
TL;DR: starbld0004180 (CAS 852687-59-3) is a chemical compound with molecular formula C19H16ClN5OS and molecular weight 397.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyanomethyl)-N-phenylacetamide
Also Known As: starbld0004180, 2-{[5-(2-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(cyanomethyl)-N-phenylacetamide, 2-((5-(2-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(cyanomethyl)-N-phenylacetamide, 2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyanomethyl)-N-phenylacetamide
| Molecular Formula | C19H16ClN5OS |
|---|---|
| Molecular Weight | 397.08 g/mol |
| LogP | 3.78438 |
| Topological Polar Surface Area | 74.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.07642 |
| Heavy Atoms | 27 |
| Complexity | 983.26514 |
Chemical Identifiers
| CAS Number | 852687-59-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N(CC#N)C2=CC=CC=C2)C3=CC=CC=C3Cl |
Product Overview
starbld0004180 (CAS 852687-59-3), with molecular formula C19H16ClN5OS and molecular weight 397.08 g/mol. IUPAC: 2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyanomethyl)-N-phenylacetamide.
Chemical Property Profile of starbld0004180
Property Insights of starbld0004180
The XLogP value of 3.78438 indicates that starbld0004180 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.81 Ų falls within the moderate polarity range, balancing permeability and solubility for starbld0004180. Following Lipinski's Rule of Five, starbld0004180 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 starbld0004180?
The CAS number of starbld0004180 is 852687-59-3.
What is the molecular formula of starbld0004180?
The molecular formula of starbld0004180 is C19H16ClN5OS.
What is the molecular weight of starbld0004180?
The molecular weight of starbld0004180 is 397.08 g/mol.
Where can I buy starbld0004180?
You can request a quote for starbld0004180 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for starbld0004180?
Yes, KEHONG BIO provides custom synthesis services for starbld0004180 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.