BAS 03796013
TL;DR: BAS 03796013 (CAS 558434-22-3) 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.
N-(3-chloro-2-methylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 03796013, N-(3-chloro-2-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-(3-chloro-2-methylphenyl)acetamide, N-(3-chloro-2-methylphenyl)-2-(4-prop-2-enyl-5-(4-pyridyl)(1,2,4-triazol-3-ylt hio))acetamide, N-(3-chloro-2-methylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C19H18ClN5OS |
|---|---|
| Molecular Weight | 399.09 g/mol |
| LogP | 4.21872 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.09207 |
| Heavy Atoms | 27 |
| Complexity | 957.9888 |
Chemical Identifiers
| CAS Number | 558434-22-3 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3 |
Product Overview
BAS 03796013 (CAS 558434-22-3), with molecular formula C19H18ClN5OS and molecular weight 399.09 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 03796013
Property Insights of BAS 03796013
The XLogP value of 4.21872 indicates that BAS 03796013 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 03796013. Following Lipinski's Rule of Five, BAS 03796013 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 03796013?
The CAS number of BAS 03796013 is 558434-22-3.
What is the molecular formula of BAS 03796013?
The molecular formula of BAS 03796013 is C19H18ClN5OS.
What is the molecular weight of BAS 03796013?
The molecular weight of BAS 03796013 is 399.09 g/mol.
Where can I buy BAS 03796013?
You can request a quote for BAS 03796013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03796013?
Yes, KEHONG BIO provides custom synthesis services for BAS 03796013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.