BAS 03796032
TL;DR: BAS 03796032 (CAS 562848-97-9) is a chemical compound with molecular formula C20H21N5OS and molecular weight 379.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 03796032, N-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)acetamide, N-(3,4-dimethylphenyl)-2-(4-prop-2-enyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio)) acetamide, N-(3,4-dimethylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C20H21N5OS |
|---|---|
| Molecular Weight | 379.15 g/mol |
| LogP | 3.87374 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.14667 |
| Heavy Atoms | 27 |
| Complexity | 952.26086 |
Chemical Identifiers
| CAS Number | 562848-97-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)C |
Product Overview
BAS 03796032 (CAS 562848-97-9), with molecular formula C20H21N5OS and molecular weight 379.15 g/mol. IUPAC: N-(3,4-dimethylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 03796032
Property Insights of BAS 03796032
The XLogP value of 3.87374 indicates that BAS 03796032 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 03796032. Following Lipinski's Rule of Five, BAS 03796032 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 03796032?
The CAS number of BAS 03796032 is 562848-97-9.
What is the molecular formula of BAS 03796032?
The molecular formula of BAS 03796032 is C20H21N5OS.
What is the molecular weight of BAS 03796032?
The molecular weight of BAS 03796032 is 379.15 g/mol.
Where can I buy BAS 03796032?
You can request a quote for BAS 03796032 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03796032?
Yes, KEHONG BIO provides custom synthesis services for BAS 03796032 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.