Butyl prop-2-enoate;ethenyl acetate;prop-2-enenitrile
TL;DR: Butyl prop-2-enoate;ethenyl acetate;prop-2-enenitrile (CAS 33812-42-9) is a chemical compound with molecular formula C14H21NO4 and molecular weight 267.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl prop-2-enoate;ethenyl acetate;prop-2-enenitrile
Also Known As: butyl prop-2-enoate; prop-2-enenitrile; vinyl acetate, (C7-H12-O2.C4-H6-O2.C3-H3-N)x-, 2-Propenoic acid, butyl ester, polymer with ethenyl acetate and 2-propenenitrile, Vinyl acetate, butyl acrylate, acrylonitrile polymer, butyl prop-2-enoate; ethenyl acetate; prop-2-enenitrile
| Molecular Formula | C14H21NO4 |
|---|---|
| Molecular Weight | 267.15 g/mol |
| LogP | 2.90468 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 267.14706 |
| Heavy Atoms | 19 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 33812-42-9 |
|---|---|
| SMILES | CCCCOC(=O)C=C.CC(=O)OC=C.C=CC#N |
| InChIKey | ZCMRHUGWNIGULP-UHFFFAOYSA-N |
Product Overview
Butyl prop-2-enoate;ethenyl acetate;prop-2-enenitrile (CAS 33812-42-9), with molecular formula C14H21NO4 and molecular weight 267.15 g/mol. IUPAC: butyl prop-2-enoate;ethenyl acetate;prop-2-enenitrile.
Chemical Property Profile of Butyl prop-2-enoate;ethenyl acetate;prop-2-enenitrile
Property Insights of Butyl prop-2-enoate;ethenyl acetate;prop-2-enenitrile
The XLogP value of 2.90468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl prop-2-enoate;ethenyl acetate;prop-2-enenitrile. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl prop-2-enoate;ethenyl acetate;prop-2-enenitrile. Following Lipinski's Rule of Five, Butyl prop-2-enoate;ethenyl acetate;prop-2-enenitrile has 0 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 Butyl prop-2-enoate;ethenyl acetate;prop-2-enenitrile?
The CAS number of Butyl prop-2-enoate;ethenyl acetate;prop-2-enenitrile is 33812-42-9.
What is the molecular formula of Butyl prop-2-enoate;ethenyl acetate;prop-2-enenitrile?
The molecular formula of Butyl prop-2-enoate;ethenyl acetate;prop-2-enenitrile is C14H21NO4.
What is the molecular weight of Butyl prop-2-enoate;ethenyl acetate;prop-2-enenitrile?
The molecular weight of Butyl prop-2-enoate;ethenyl acetate;prop-2-enenitrile is 267.15 g/mol.
Where can I buy Butyl prop-2-enoate;ethenyl acetate;prop-2-enenitrile?
You can request a quote for Butyl prop-2-enoate;ethenyl acetate;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 Butyl prop-2-enoate;ethenyl acetate;prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for Butyl prop-2-enoate;ethenyl acetate;prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.