BAS 04027036
TL;DR: BAS 04027036 (CAS 557065-37-9) is a chemical compound with molecular formula C19H21N5OS and molecular weight 367.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethylphenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 04027036, N-(3,4-dimethylphenyl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3,4-Dimethylphenyl)-2-((4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3,4-DIMETHYLPHENYL)-2-{[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE, N-(3,4-dimethylphenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C19H21N5OS |
|---|---|
| Molecular Weight | 367.15 g/mol |
| LogP | 3.70764 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.14667 |
| Heavy Atoms | 26 |
| Complexity | 907.54785 |
Chemical Identifiers
| CAS Number | 557065-37-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)C)C3=CN=CC=C3 |
Product Overview
BAS 04027036 (CAS 557065-37-9), with molecular formula C19H21N5OS and molecular weight 367.15 g/mol. IUPAC: N-(3,4-dimethylphenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 04027036
Property Insights of BAS 04027036
The XLogP value of 3.70764 indicates that BAS 04027036 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 04027036. Following Lipinski's Rule of Five, BAS 04027036 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 04027036?
The CAS number of BAS 04027036 is 557065-37-9.
What is the molecular formula of BAS 04027036?
The molecular formula of BAS 04027036 is C19H21N5OS.
What is the molecular weight of BAS 04027036?
The molecular weight of BAS 04027036 is 367.15 g/mol.
Where can I buy BAS 04027036?
You can request a quote for BAS 04027036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04027036?
Yes, KEHONG BIO provides custom synthesis services for BAS 04027036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.