BAS 01045157
TL;DR: BAS 01045157 (CAS 354154-54-4) is a chemical compound with molecular formula C23H26N4OS and molecular weight 406.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-1,2,4-triazol-5-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3H-quinolin-1-yl]ethanone
Also Known As: BAS 01045157, 2-(4H-1,2,4-triazol-3-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethanone, A2106/0088510, 2,2,4-trimethyl-4-(3-methylphenyl)-1-[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]-1,2,3,4-tetrahydroquinoline, 2,2,4-trimethyl-4-(3-methylphenyl)-1-[(4H-1,2,4-triazol-3-ylthio)acetyl]-1,2,3,4-tetrahydroquinoline
| Molecular Formula | C23H26N4OS |
|---|---|
| Molecular Weight | 406.18 g/mol |
| LogP | 4.72672 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.18274 |
| Heavy Atoms | 29 |
| Complexity | 1030.8718 |
Chemical Identifiers
| CAS Number | 354154-54-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2(CC(N(C3=CC=CC=C32)C(=O)CSC4=NC=NN4)(C)C)C |
Product Overview
BAS 01045157 (CAS 354154-54-4), with molecular formula C23H26N4OS and molecular weight 406.18 g/mol. IUPAC: 2-(1H-1,2,4-triazol-5-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3H-quinolin-1-yl]ethanone.
Chemical Property Profile of BAS 01045157
Property Insights of BAS 01045157
The XLogP value of 4.72672 indicates that BAS 01045157 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01045157. Following Lipinski's Rule of Five, BAS 01045157 has 1 hydrogen bond donor(s) and 4 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 01045157?
The CAS number of BAS 01045157 is 354154-54-4.
What is the molecular formula of BAS 01045157?
The molecular formula of BAS 01045157 is C23H26N4OS.
What is the molecular weight of BAS 01045157?
The molecular weight of BAS 01045157 is 406.18 g/mol.
Where can I buy BAS 01045157?
You can request a quote for BAS 01045157 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01045157?
Yes, KEHONG BIO provides custom synthesis services for BAS 01045157 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.