BAS 01916007
TL;DR: BAS 01916007 (CAS 332934-41-5) is a chemical compound with molecular formula C18H16ClN5O3S and molecular weight 417.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
Also Known As: BAS 01916007, 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide, 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
| Molecular Formula | C18H16ClN5O3S |
|---|---|
| Molecular Weight | 417.07 g/mol |
| LogP | 4.2574 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.06622 |
| Heavy Atoms | 28 |
| Complexity | 989.4606 |
Chemical Identifiers
| CAS Number | 332934-41-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl |
Product Overview
BAS 01916007 (CAS 332934-41-5), with molecular formula C18H16ClN5O3S and molecular weight 417.07 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of BAS 01916007
Property Insights of BAS 01916007
The XLogP value of 4.2574 indicates that BAS 01916007 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01916007. Following Lipinski's Rule of Five, BAS 01916007 has 1 hydrogen bond donor(s) and 6 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 01916007?
The CAS number of BAS 01916007 is 332934-41-5.
What is the molecular formula of BAS 01916007?
The molecular formula of BAS 01916007 is C18H16ClN5O3S.
What is the molecular weight of BAS 01916007?
The molecular weight of BAS 01916007 is 417.07 g/mol.
Where can I buy BAS 01916007?
You can request a quote for BAS 01916007 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01916007?
Yes, KEHONG BIO provides custom synthesis services for BAS 01916007 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.