BAS 03796034
TL;DR: BAS 03796034 (CAS 562849-01-8) is a chemical compound with molecular formula C21H23N5OS and molecular weight 393.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-ethyl-6-methylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 03796034, N-(2-ethyl-6-methylphenyl)-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-(2-ethyl-6-methylphenyl)acetamide, N-(2-ethyl-6-methylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(6-ethyl-2-methylphenyl)-2-(4-prop-2-enyl-5-(4-pyridyl)(1,2,4-triazol-3-ylth io))acetamide
| Molecular Formula | C21H23N5OS |
|---|---|
| Molecular Weight | 393.16 g/mol |
| LogP | 4.12772 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 393.16232 |
| Heavy Atoms | 28 |
| Complexity | 968.1822 |
Chemical Identifiers
| CAS Number | 562849-01-8 |
|---|---|
| SMILES | CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)C |
Product Overview
BAS 03796034 (CAS 562849-01-8), with molecular formula C21H23N5OS and molecular weight 393.16 g/mol. IUPAC: N-(2-ethyl-6-methylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 03796034
Property Insights of BAS 03796034
The XLogP value of 4.12772 indicates that BAS 03796034 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 03796034. Following Lipinski's Rule of Five, BAS 03796034 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 03796034?
The CAS number of BAS 03796034 is 562849-01-8.
What is the molecular formula of BAS 03796034?
The molecular formula of BAS 03796034 is C21H23N5OS.
What is the molecular weight of BAS 03796034?
The molecular weight of BAS 03796034 is 393.16 g/mol.
Where can I buy BAS 03796034?
You can request a quote for BAS 03796034 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03796034?
Yes, KEHONG BIO provides custom synthesis services for BAS 03796034 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.