BAS 13387619
TL;DR: BAS 13387619 (CAS 558458-65-4) is a chemical compound with molecular formula C22H25N5O2S and molecular weight 423.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
Also Known As: BAS 13387619, 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide, 2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(morpholin-4-yl)phenyl]acetamide
| Molecular Formula | C22H25N5O2S |
|---|---|
| Molecular Weight | 423.17 g/mol |
| LogP | 3.5324 |
| Topological Polar Surface Area | 72.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.17288 |
| Heavy Atoms | 30 |
| Complexity | 968.9528 |
Chemical Identifiers
| CAS Number | 558458-65-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCOCC3)C4=CC=CC=C4 |
Product Overview
BAS 13387619 (CAS 558458-65-4), with molecular formula C22H25N5O2S and molecular weight 423.17 g/mol. IUPAC: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide.
Chemical Property Profile of BAS 13387619
Property Insights of BAS 13387619
The XLogP value of 3.5324 indicates that BAS 13387619 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.28 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13387619. Following Lipinski's Rule of Five, BAS 13387619 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 13387619?
The CAS number of BAS 13387619 is 558458-65-4.
What is the molecular formula of BAS 13387619?
The molecular formula of BAS 13387619 is C22H25N5O2S.
What is the molecular weight of BAS 13387619?
The molecular weight of BAS 13387619 is 423.17 g/mol.
Where can I buy BAS 13387619?
You can request a quote for BAS 13387619 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13387619?
Yes, KEHONG BIO provides custom synthesis services for BAS 13387619 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.