BAS 03796015
TL;DR: BAS 03796015 (CAS 562848-89-9) is a chemical compound with molecular formula C18H16FN5OS and molecular weight 369.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 03796015, N-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-allyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide, N-(4-fluorophenyl)-2-(4-prop-2-enyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))acet amide, N-(4-fluorophenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C18H16FN5OS |
|---|---|
| Molecular Weight | 369.11 g/mol |
| LogP | 3.396 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 369.10596 |
| Heavy Atoms | 26 |
| Complexity | 895.7047 |
Chemical Identifiers
| CAS Number | 562848-89-9 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)F)C3=CC=NC=C3 |
Product Overview
BAS 03796015 (CAS 562848-89-9), with molecular formula C18H16FN5OS and molecular weight 369.11 g/mol. IUPAC: N-(4-fluorophenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 03796015
Property Insights of BAS 03796015
The XLogP value of 3.396 indicates that BAS 03796015 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03796015. Following Lipinski's Rule of Five, BAS 03796015 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 03796015?
The CAS number of BAS 03796015 is 562848-89-9.
What is the molecular formula of BAS 03796015?
The molecular formula of BAS 03796015 is C18H16FN5OS.
What is the molecular weight of BAS 03796015?
The molecular weight of BAS 03796015 is 369.11 g/mol.
Where can I buy BAS 03796015?
You can request a quote for BAS 03796015 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03796015?
Yes, KEHONG BIO provides custom synthesis services for BAS 03796015 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.