1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid
TL;DR: 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid (CAS 394-52-5) is a chemical compound with molecular formula C12H15Cl2NO4 and molecular weight 307.04 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;prop-2-enoic acid
Also Known As: 2-Propenoic acid, polymer with 1,1-dichloroethene, methyl 2-propenoate and 2-propenenitrile, (C4-H6-O2.C3-H4-O2.C3-H3-N.C2-H2-Cl2)x-, acrylic acid; 1,1-dichloroethylene; methyl prop-2-enoate; prop-2-enenitrile, POLY(ACRYLIC ACID-CO-ACRYLONITRILE-CO-METHYL ACRYLATE-CO-VINYLIDENE CHLORIDE), 1,1-dichloroethene; methyl prop-2-enoate; prop-2-enenitrile; prop-2-enoic acid
| Molecular Formula | C12H15Cl2NO4 |
|---|---|
| Molecular Weight | 307.04 g/mol |
| LogP | 3.23358 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.0378 |
| Heavy Atoms | 19 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 394-52-5 |
|---|---|
| SMILES | COC(=O)C=C.C=CC#N.C=CC(=O)O.C=C(Cl)Cl |
| InChIKey | CQGCKVZLBIEHET-UHFFFAOYSA-N |
Product Overview
1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid (CAS 394-52-5), with molecular formula C12H15Cl2NO4 and molecular weight 307.04 g/mol. IUPAC: 1,1-dichloroethene;methyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid.
Chemical Property Profile of 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid
Property Insights of 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid
The XLogP value of 3.23358 indicates that 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid. Following Lipinski's Rule of Five, 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid 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 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid?
The CAS number of 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid is 394-52-5.
What is the molecular formula of 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid?
The molecular formula of 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid is C12H15Cl2NO4.
What is the molecular weight of 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid?
The molecular weight of 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid is 307.04 g/mol.
Where can I buy 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid?
You can request a quote for 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid 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;prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dichloroethene;methyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.