BAS 02749703
TL;DR: BAS 02749703 (CAS 333418-80-7) is a chemical compound with molecular formula C17H16ClN5OS and molecular weight 373.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-2-methylphenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 02749703, N-(3-chloro-2-methylphenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3-chloro-2-methylphenyl)-2-{[4-methyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3-chloro-2-methylphenyl)-2-(4-methyl-5-(3-pyridyl)(1,2,4-triazol-3-ylthio)) acetamide, N-(3-chloro-2-methylphenyl)-2-((4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C17H16ClN5OS |
|---|---|
| Molecular Weight | 373.08 g/mol |
| LogP | 3.56972 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.07642 |
| Heavy Atoms | 25 |
| Complexity | 897.3088 |
Chemical Identifiers
| CAS Number | 333418-80-7 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2C)C3=CN=CC=C3 |
Product Overview
BAS 02749703 (CAS 333418-80-7), with molecular formula C17H16ClN5OS and molecular weight 373.08 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 02749703
Property Insights of BAS 02749703
The XLogP value of 3.56972 indicates that BAS 02749703 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02749703. Following Lipinski's Rule of Five, BAS 02749703 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 BAS 02749703?
The CAS number of BAS 02749703 is 333418-80-7.
What is the molecular formula of BAS 02749703?
The molecular formula of BAS 02749703 is C17H16ClN5OS.
What is the molecular weight of BAS 02749703?
The molecular weight of BAS 02749703 is 373.08 g/mol.
Where can I buy BAS 02749703?
You can request a quote for BAS 02749703 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02749703?
Yes, KEHONG BIO provides custom synthesis services for BAS 02749703 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.