BAS 03221648
TL;DR: BAS 03221648 (CAS 333792-35-1) is a chemical compound with molecular formula C19H18FN5OS and molecular weight 383.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
Also Known As: BAS 03221648, 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone, 2-{[4-(4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone
| Molecular Formula | C19H18FN5OS |
|---|---|
| Molecular Weight | 383.12 g/mol |
| LogP | 3.1829 |
| Topological Polar Surface Area | 63.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.1216 |
| Heavy Atoms | 27 |
| Complexity | 923.0329 |
Chemical Identifiers
| CAS Number | 333792-35-1 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=NC=C4 |
Product Overview
BAS 03221648 (CAS 333792-35-1), with molecular formula C19H18FN5OS and molecular weight 383.12 g/mol. IUPAC: 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of BAS 03221648
Property Insights of BAS 03221648
The XLogP value of 3.1829 indicates that BAS 03221648 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03221648. Following Lipinski's Rule of Five, BAS 03221648 has 0 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 03221648?
The CAS number of BAS 03221648 is 333792-35-1.
What is the molecular formula of BAS 03221648?
The molecular formula of BAS 03221648 is C19H18FN5OS.
What is the molecular weight of BAS 03221648?
The molecular weight of BAS 03221648 is 383.12 g/mol.
Where can I buy BAS 03221648?
You can request a quote for BAS 03221648 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03221648?
Yes, KEHONG BIO provides custom synthesis services for BAS 03221648 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.