VU0233408-4
TL;DR: VU0233408-4 (CAS 607696-76-4) is a chemical compound with molecular formula C21H21N3O3S and molecular weight 395.13 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-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide
Also Known As: VU0233408-4, N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide, N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)acetamide, 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-piperonyl-acetamide
| Molecular Formula | C21H21N3O3S |
|---|---|
| Molecular Weight | 395.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.13037 |
| Heavy Atoms | 28 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 607696-76-4 |
|---|---|
| SMILES | CC1=C2CCCCC2=C(C(=N1)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C#N |
| InChIKey | XODUZAZMRIFTJI-UHFFFAOYSA-N |
Product Overview
VU0233408-4 (CAS 607696-76-4), with molecular formula C21H21N3O3S and molecular weight 395.13 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide.
Chemical Property Profile of VU0233408-4
Property Insights of VU0233408-4
The XLogP value of 3.8 indicates that VU0233408-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0233408-4. Following Lipinski's Rule of Five, VU0233408-4 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 VU0233408-4?
The CAS number of VU0233408-4 is 607696-76-4.
What is the molecular formula of VU0233408-4?
The molecular formula of VU0233408-4 is C21H21N3O3S.
What is the molecular weight of VU0233408-4?
The molecular weight of VU0233408-4 is 395.13 g/mol.
Where can I buy VU0233408-4?
You can request a quote for VU0233408-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0233408-4?
Yes, KEHONG BIO provides custom synthesis services for VU0233408-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.