BAS 02071288
TL;DR: BAS 02071288 (CAS 5128-67-6) is a chemical compound with molecular formula C17H16N6O3S and molecular weight 384.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
Also Known As: BAS 02071288, 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide, 2-[(4-ethyl-5-pyridin-4-yl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{3-nitrophenyl}acetamide, 2-{[4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
| Molecular Formula | C17H16N6O3S |
|---|---|
| Molecular Weight | 384.10 g/mol |
| LogP | 2.999 |
| Topological Polar Surface Area | 115.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.10046 |
| Heavy Atoms | 27 |
| Complexity | 960.31244 |
Chemical Identifiers
| CAS Number | 5128-67-6 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=NC=C3 |
Product Overview
BAS 02071288 (CAS 5128-67-6), with molecular formula C17H16N6O3S and molecular weight 384.10 g/mol. IUPAC: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide.
Chemical Property Profile of BAS 02071288
Property Insights of BAS 02071288
The XLogP value of 2.999 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02071288. The TPSA of 115.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02071288. Following Lipinski's Rule of Five, BAS 02071288 has 1 hydrogen bond donor(s) and 7 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 02071288?
The CAS number of BAS 02071288 is 5128-67-6.
What is the molecular formula of BAS 02071288?
The molecular formula of BAS 02071288 is C17H16N6O3S.
What is the molecular weight of BAS 02071288?
The molecular weight of BAS 02071288 is 384.10 g/mol.
Where can I buy BAS 02071288?
You can request a quote for BAS 02071288 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02071288?
Yes, KEHONG BIO provides custom synthesis services for BAS 02071288 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.