BAS 05937584
TL;DR: BAS 05937584 (CAS 626209-13-0) is a chemical compound with molecular formula C19H18ClN5OS and molecular weight 399.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
Also Known As: BAS 05937584, AH-487/41731091, 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone, 4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide, 2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone
| Molecular Formula | C19H18ClN5OS |
|---|---|
| Molecular Weight | 399.09 g/mol |
| LogP | 3.6972 |
| Topological Polar Surface Area | 63.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.09207 |
| Heavy Atoms | 27 |
| Complexity | 923.0329 |
Chemical Identifiers
| CAS Number | 626209-13-0 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4 |
Product Overview
BAS 05937584 (CAS 626209-13-0), with molecular formula C19H18ClN5OS and molecular weight 399.09 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of BAS 05937584
Property Insights of BAS 05937584
The XLogP value of 3.6972 indicates that BAS 05937584 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 05937584. Following Lipinski's Rule of Five, BAS 05937584 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 05937584?
The CAS number of BAS 05937584 is 626209-13-0.
What is the molecular formula of BAS 05937584?
The molecular formula of BAS 05937584 is C19H18ClN5OS.
What is the molecular weight of BAS 05937584?
The molecular weight of BAS 05937584 is 399.09 g/mol.
Where can I buy BAS 05937584?
You can request a quote for BAS 05937584 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05937584?
Yes, KEHONG BIO provides custom synthesis services for BAS 05937584 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.