3-(1,3-dioxaindan-5-yl)-2-(2,3-dihydro-1H-indole-1-carbonyl)prop-2-enenitrile
TL;DR: 3-(1,3-dioxaindan-5-yl)-2-(2,3-dihydro-1H-indole-1-carbonyl)prop-2-enenitrile (CAS 721906-64-5) is a chemical compound with molecular formula C19H14N2O3 and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindole-1-carbonyl)prop-2-enenitrile
Also Known As: 3-(1,3-dioxaindan-5-yl)-2-(2,3-dihydro-1H-indole-1-carbonyl)prop-2-enenitrile
| Molecular Formula | C19H14N2O3 |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 2.91158 |
| Topological Polar Surface Area | 62.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.10043 |
| Heavy Atoms | 24 |
| Complexity | 895.72516 |
Chemical Identifiers
| CAS Number | 721906-64-5 |
|---|---|
| SMILES | C1CN(C2=CC=CC=C21)C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/C#N |
Product Overview
3-(1,3-dioxaindan-5-yl)-2-(2,3-dihydro-1H-indole-1-carbonyl)prop-2-enenitrile (CAS 721906-64-5), with molecular formula C19H14N2O3 and molecular weight 318.10 g/mol. IUPAC: (Z)-3-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindole-1-carbonyl)prop-2-enenitrile.
Chemical Property Profile of 3-(1,3-dioxaindan-5-yl)-2-(2,3-dihydro-1H-indole-1-carbonyl)prop-2-enenitrile
Property Insights of 3-(1,3-dioxaindan-5-yl)-2-(2,3-dihydro-1H-indole-1-carbonyl)prop-2-enenitrile
The XLogP value of 2.91158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-dioxaindan-5-yl)-2-(2,3-dihydro-1H-indole-1-carbonyl)prop-2-enenitrile. The TPSA of 62.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-dioxaindan-5-yl)-2-(2,3-dihydro-1H-indole-1-carbonyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-(1,3-dioxaindan-5-yl)-2-(2,3-dihydro-1H-indole-1-carbonyl)prop-2-enenitrile has 0 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 3-(1,3-dioxaindan-5-yl)-2-(2,3-dihydro-1H-indole-1-carbonyl)prop-2-enenitrile?
The CAS number of 3-(1,3-dioxaindan-5-yl)-2-(2,3-dihydro-1H-indole-1-carbonyl)prop-2-enenitrile is 721906-64-5.
What is the molecular formula of 3-(1,3-dioxaindan-5-yl)-2-(2,3-dihydro-1H-indole-1-carbonyl)prop-2-enenitrile?
The molecular formula of 3-(1,3-dioxaindan-5-yl)-2-(2,3-dihydro-1H-indole-1-carbonyl)prop-2-enenitrile is C19H14N2O3.
What is the molecular weight of 3-(1,3-dioxaindan-5-yl)-2-(2,3-dihydro-1H-indole-1-carbonyl)prop-2-enenitrile?
The molecular weight of 3-(1,3-dioxaindan-5-yl)-2-(2,3-dihydro-1H-indole-1-carbonyl)prop-2-enenitrile is 318.10 g/mol.
Where can I buy 3-(1,3-dioxaindan-5-yl)-2-(2,3-dihydro-1H-indole-1-carbonyl)prop-2-enenitrile?
You can request a quote for 3-(1,3-dioxaindan-5-yl)-2-(2,3-dihydro-1H-indole-1-carbonyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-dioxaindan-5-yl)-2-(2,3-dihydro-1H-indole-1-carbonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-dioxaindan-5-yl)-2-(2,3-dihydro-1H-indole-1-carbonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.