BAS 05948789
TL;DR: BAS 05948789 (CAS 693255-08-2) is a chemical compound with molecular formula C16H21N5OS and molecular weight 331.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
Also Known As: BAS 05948789, 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone, 2-[5-(4-Amino-phenyl)-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-1-pyrrolidin-1-yl-ethanone, 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone, 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone
| Molecular Formula | C16H21N5OS |
|---|---|
| Molecular Weight | 331.15 g/mol |
| LogP | 2.2617 |
| Topological Polar Surface Area | 77.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.14667 |
| Heavy Atoms | 23 |
| Complexity | 676.2791 |
Chemical Identifiers
| CAS Number | 693255-08-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC=C(C=C3)N |
Product Overview
BAS 05948789 (CAS 693255-08-2), with molecular formula C16H21N5OS and molecular weight 331.15 g/mol. IUPAC: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of BAS 05948789
Property Insights of BAS 05948789
The XLogP value of 2.2617 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05948789. The TPSA of 77.04 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05948789. Following Lipinski's Rule of Five, BAS 05948789 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 05948789?
The CAS number of BAS 05948789 is 693255-08-2.
What is the molecular formula of BAS 05948789?
The molecular formula of BAS 05948789 is C16H21N5OS.
What is the molecular weight of BAS 05948789?
The molecular weight of BAS 05948789 is 331.15 g/mol.
Where can I buy BAS 05948789?
You can request a quote for BAS 05948789 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05948789?
Yes, KEHONG BIO provides custom synthesis services for BAS 05948789 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.