BAS 01816145
TL;DR: BAS 01816145 (CAS 552814-35-4) 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-(2,3-dimethylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 01816145, N-(2,3-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-(2,3-dimethylphenyl)acetamide, N-(2,3-dimethylphenyl)-2-(4-prop-2-enyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio)) acetamide, N-(2,3-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 | 552814-35-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)C |
Product Overview
BAS 01816145 (CAS 552814-35-4), with molecular formula C20H21N5OS and molecular weight 379.15 g/mol. IUPAC: N-(2,3-dimethylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 01816145
Property Insights of BAS 01816145
The XLogP value of 3.87374 indicates that BAS 01816145 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 01816145. Following Lipinski's Rule of Five, BAS 01816145 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 01816145?
The CAS number of BAS 01816145 is 552814-35-4.
What is the molecular formula of BAS 01816145?
The molecular formula of BAS 01816145 is C20H21N5OS.
What is the molecular weight of BAS 01816145?
The molecular weight of BAS 01816145 is 379.15 g/mol.
Where can I buy BAS 01816145?
You can request a quote for BAS 01816145 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01816145?
Yes, KEHONG BIO provides custom synthesis services for BAS 01816145 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.