BAS 04454461
TL;DR: BAS 04454461 (CAS 516451-56-2) is a chemical compound with molecular formula C21H18N4O3S and molecular weight 406.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
Also Known As: BAS 04454461, F1441-0763, N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-({4-METHYL-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-YL}SULFANYL)ACETAMIDE, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide, N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)acetamide
| Molecular Formula | C21H18N4O3S |
|---|---|
| Molecular Weight | 406.11 g/mol |
| LogP | 3.69292 |
| Topological Polar Surface Area | 77.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.10995 |
| Heavy Atoms | 29 |
| Complexity | 1237.5371 |
Chemical Identifiers
| CAS Number | 516451-56-2 |
|---|---|
| SMILES | CC1=CC2=CC=CC=C2N3C1=NN=C3SCC(=O)NC4=CC5=C(C=C4)OCCO5 |
Product Overview
BAS 04454461 (CAS 516451-56-2), with molecular formula C21H18N4O3S and molecular weight 406.11 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 04454461
Property Insights of BAS 04454461
The XLogP value of 3.69292 indicates that BAS 04454461 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.75 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04454461. Following Lipinski's Rule of Five, BAS 04454461 has 1 hydrogen bond donor(s) and 6 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 04454461?
The CAS number of BAS 04454461 is 516451-56-2.
What is the molecular formula of BAS 04454461?
The molecular formula of BAS 04454461 is C21H18N4O3S.
What is the molecular weight of BAS 04454461?
The molecular weight of BAS 04454461 is 406.11 g/mol.
Where can I buy BAS 04454461?
You can request a quote for BAS 04454461 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04454461?
Yes, KEHONG BIO provides custom synthesis services for BAS 04454461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.