VU0618114-1
TL;DR: VU0618114-1 (CAS 690644-41-8) is a chemical compound with molecular formula C24H25N3O4S and molecular weight 451.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide
Also Known As: VU0618114-1, F3394-0291, N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((3-cyano-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetamide
| Molecular Formula | C24H25N3O4S |
|---|---|
| Molecular Weight | 451.16 g/mol |
| LogP | 3.80798 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.1566 |
| Heavy Atoms | 32 |
| Complexity | 1137.0398 |
Chemical Identifiers
| CAS Number | 690644-41-8 |
|---|---|
| SMILES | CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C#N |
Product Overview
VU0618114-1 (CAS 690644-41-8), with molecular formula C24H25N3O4S and molecular weight 451.16 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of VU0618114-1
Property Insights of VU0618114-1
The XLogP value of 3.80798 indicates that VU0618114-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.31 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0618114-1. Following Lipinski's Rule of Five, VU0618114-1 has 1 hydrogen bond donor(s) and 7 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 VU0618114-1?
The CAS number of VU0618114-1 is 690644-41-8.
What is the molecular formula of VU0618114-1?
The molecular formula of VU0618114-1 is C24H25N3O4S.
What is the molecular weight of VU0618114-1?
The molecular weight of VU0618114-1 is 451.16 g/mol.
Where can I buy VU0618114-1?
You can request a quote for VU0618114-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0618114-1?
Yes, KEHONG BIO provides custom synthesis services for VU0618114-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.