Butyl prop-2-enoate;2-methylidenebutanedioic acid;prop-2-enenitrile
TL;DR: Butyl prop-2-enoate;2-methylidenebutanedioic acid;prop-2-enenitrile (CAS 61595-00-4) is a chemical compound with molecular formula C15H21NO6 and molecular weight 311.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl prop-2-enoate;2-methylidenebutanedioic acid;prop-2-enenitrile
Also Known As: Butyl acrylate, acrylonitrile, itaconic acid polymer, (C7-H12-O2.C5-H6-O4.C3-H3-N)x-, butyl prop-2-enoate; 2-methylidenebutanedioic acid; prop-2-enenitrile, Butanedioic acid, 2-methylene-, polymer with butyl 2-propenoate and 2-propenenitrile, Butanedioic acid, methylene-, polymer with butyl 2-propenoate and 2-propenenitrile
| Molecular Formula | C15H21NO6 |
|---|---|
| Molecular Weight | 311.14 g/mol |
| LogP | 2.31358 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 311.1369 |
| Heavy Atoms | 22 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 61595-00-4 |
|---|---|
| SMILES | CCCCOC(=O)C=C.C=CC#N.C=C(CC(=O)O)C(=O)O |
| InChIKey | PAVUUKMIDPVWJZ-UHFFFAOYSA-N |
Product Overview
Butyl prop-2-enoate;2-methylidenebutanedioic acid;prop-2-enenitrile (CAS 61595-00-4), with molecular formula C15H21NO6 and molecular weight 311.14 g/mol. IUPAC: butyl prop-2-enoate;2-methylidenebutanedioic acid;prop-2-enenitrile.
Chemical Property Profile of Butyl prop-2-enoate;2-methylidenebutanedioic acid;prop-2-enenitrile
Property Insights of Butyl prop-2-enoate;2-methylidenebutanedioic acid;prop-2-enenitrile
The XLogP value of 2.31358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl prop-2-enoate;2-methylidenebutanedioic acid;prop-2-enenitrile. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl prop-2-enoate;2-methylidenebutanedioic acid;prop-2-enenitrile. Following Lipinski's Rule of Five, Butyl prop-2-enoate;2-methylidenebutanedioic acid;prop-2-enenitrile has 2 hydrogen bond donor(s) and 7 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;2-methylidenebutanedioic acid;prop-2-enenitrile?
The CAS number of Butyl prop-2-enoate;2-methylidenebutanedioic acid;prop-2-enenitrile is 61595-00-4.
What is the molecular formula of Butyl prop-2-enoate;2-methylidenebutanedioic acid;prop-2-enenitrile?
The molecular formula of Butyl prop-2-enoate;2-methylidenebutanedioic acid;prop-2-enenitrile is C15H21NO6.
What is the molecular weight of Butyl prop-2-enoate;2-methylidenebutanedioic acid;prop-2-enenitrile?
The molecular weight of Butyl prop-2-enoate;2-methylidenebutanedioic acid;prop-2-enenitrile is 311.14 g/mol.
Where can I buy Butyl prop-2-enoate;2-methylidenebutanedioic acid;prop-2-enenitrile?
You can request a quote for Butyl prop-2-enoate;2-methylidenebutanedioic acid;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;2-methylidenebutanedioic acid;prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for Butyl prop-2-enoate;2-methylidenebutanedioic acid;prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.