1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile
TL;DR: 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile (CAS 29366-76-5) is a chemical compound with molecular formula C9H11Cl2NO2 and molecular weight 235.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dichloroethene;methyl prop-2-enoate;prop-2-enenitrile
Also Known As: KST-1B2772, 1,1-dichloroethylene; methyl prop-2-enoate; prop-2-enenitrile, (C4-H6-O2.C3-H3-N.C2-H2-Cl2)x-, 2-Propenoic acid, methyl ester, polymer with 1,1-dichloroethene and 2-propenenitrile, 1,1-dichloroethene; methyl prop-2-enoate; prop-2-enenitrile
| Molecular Formula | C9H11Cl2NO2 |
|---|---|
| Molecular Weight | 235.02 g/mol |
| LogP | 2.97658 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.01668 |
| Heavy Atoms | 14 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 29366-76-5 |
|---|---|
| SMILES | COC(=O)C=C.C=CC#N.C=C(Cl)Cl |
| InChIKey | JXNCOIYSKIAACX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile (CAS 29366-76-5), with molecular formula C9H11Cl2NO2 and molecular weight 235.02 g/mol. IUPAC: 1,1-dichloroethene;methyl prop-2-enoate;prop-2-enenitrile.
Chemical Property Profile of 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile
Property Insights of 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile
The XLogP value of 2.97658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile. With a topological polar surface area (TPSA) of 50.1 Ų, 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile has 0 hydrogen bond donor(s) and 3 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 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile?
The CAS number of 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile is 29366-76-5.
What is the molecular formula of 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile?
The molecular formula of 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile is C9H11Cl2NO2.
What is the molecular weight of 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile?
The molecular weight of 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile is 235.02 g/mol.
Where can I buy 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile?
You can request a quote for 1,1-Dichloroethene;methyl prop-2-enoate;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 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.