BAS 04027035
TL;DR: BAS 04027035 (CAS 557065-35-7) is a chemical compound with molecular formula C18H19N5OS and molecular weight 353.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethylphenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 04027035, N-(3,4-dimethylphenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3,4-dimethylphenyl)-2-(4-methyl-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))aceta mide, N-(3,4-dimethylphenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(3,4-dimethylphenyl)-2-((4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C18H19N5OS |
|---|---|
| Molecular Weight | 353.13 g/mol |
| LogP | 3.22474 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.13104 |
| Heavy Atoms | 25 |
| Complexity | 891.737 |
Chemical Identifiers
| CAS Number | 557065-35-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CN=CC=C3)C |
Product Overview
BAS 04027035 (CAS 557065-35-7), with molecular formula C18H19N5OS and molecular weight 353.13 g/mol. IUPAC: N-(3,4-dimethylphenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 04027035
Property Insights of BAS 04027035
The XLogP value of 3.22474 indicates that BAS 04027035 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 04027035. Following Lipinski's Rule of Five, BAS 04027035 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 04027035?
The CAS number of BAS 04027035 is 557065-35-7.
What is the molecular formula of BAS 04027035?
The molecular formula of BAS 04027035 is C18H19N5OS.
What is the molecular weight of BAS 04027035?
The molecular weight of BAS 04027035 is 353.13 g/mol.
Where can I buy BAS 04027035?
You can request a quote for BAS 04027035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04027035?
Yes, KEHONG BIO provides custom synthesis services for BAS 04027035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.