3-(1,3-Benzodioxol-5-ylamino)-2-(2-chlorobenzoyl)prop-2-enenitrile
TL;DR: 3-(1,3-Benzodioxol-5-ylamino)-2-(2-chlorobenzoyl)prop-2-enenitrile (CAS 1025166-12-4) is a chemical compound with molecular formula C17H11ClN2O3 and molecular weight 326.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylamino)-2-(2-chlorobenzoyl)prop-2-enenitrile
Also Known As: 3-(1,3-benzodioxol-5-ylamino)-2-(2-chlorobenzoyl)prop-2-enenitrile, (E)-3-(1,3-benzodioxol-5-ylamino)-2-(2-chlorobenzoyl)-2-propenenitrile, 3-(benzo[1,3]dioxol-5-ylamino)-2-(2-chlorobenzoyl)prop-2-enenitrile, 3-(BENZO[3,4-D]1,3-DIOXOLEN-5-YLAMINO)-2-((2-CHLOROPHENYL)CARBONYL)PROP-2-ENENITRILE, (2E)-3-[(2H-1,3-benzodioxol-5-yl)amino]-2-[(E)-2-chlorobenzoyl]prop-2-enenitrile
| Molecular Formula | C17H11ClN2O3 |
|---|---|
| Molecular Weight | 326.05 g/mol |
| LogP | 3.77098 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.0458 |
| Heavy Atoms | 23 |
| Complexity | 839.9724 |
Chemical Identifiers
| CAS Number | 1025166-12-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC=C(C#N)C(=O)C3=CC=CC=C3Cl |
Product Overview
3-(1,3-Benzodioxol-5-ylamino)-2-(2-chlorobenzoyl)prop-2-enenitrile (CAS 1025166-12-4), with molecular formula C17H11ClN2O3 and molecular weight 326.05 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylamino)-2-(2-chlorobenzoyl)prop-2-enenitrile.
Chemical Property Profile of 3-(1,3-Benzodioxol-5-ylamino)-2-(2-chlorobenzoyl)prop-2-enenitrile
Property Insights of 3-(1,3-Benzodioxol-5-ylamino)-2-(2-chlorobenzoyl)prop-2-enenitrile
The XLogP value of 3.77098 indicates that 3-(1,3-Benzodioxol-5-ylamino)-2-(2-chlorobenzoyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-Benzodioxol-5-ylamino)-2-(2-chlorobenzoyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-ylamino)-2-(2-chlorobenzoyl)prop-2-enenitrile has 1 hydrogen bond donor(s) and 5 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-Benzodioxol-5-ylamino)-2-(2-chlorobenzoyl)prop-2-enenitrile?
The CAS number of 3-(1,3-Benzodioxol-5-ylamino)-2-(2-chlorobenzoyl)prop-2-enenitrile is 1025166-12-4.
What is the molecular formula of 3-(1,3-Benzodioxol-5-ylamino)-2-(2-chlorobenzoyl)prop-2-enenitrile?
The molecular formula of 3-(1,3-Benzodioxol-5-ylamino)-2-(2-chlorobenzoyl)prop-2-enenitrile is C17H11ClN2O3.
What is the molecular weight of 3-(1,3-Benzodioxol-5-ylamino)-2-(2-chlorobenzoyl)prop-2-enenitrile?
The molecular weight of 3-(1,3-Benzodioxol-5-ylamino)-2-(2-chlorobenzoyl)prop-2-enenitrile is 326.05 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-ylamino)-2-(2-chlorobenzoyl)prop-2-enenitrile?
You can request a quote for 3-(1,3-Benzodioxol-5-ylamino)-2-(2-chlorobenzoyl)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-Benzodioxol-5-ylamino)-2-(2-chlorobenzoyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzodioxol-5-ylamino)-2-(2-chlorobenzoyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.