Butanedioic acid, mono-2-propenyl ester
TL;DR: Butanedioic acid, mono-2-propenyl ester (CAS 3882-09-5) is a chemical compound with molecular formula C7H9O4- and molecular weight 157.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-prop-2-enoxybutanoate
Also Known As: 4-(allyloxy)-4-oxobutanoic acid, 4-oxo-4-prop-2-enoxybutanoate, Butanedioic acid, mono-2-propenyl ester, 4-Oxo-4-[(prop-2-en-1-yl)oxy]butanoate
| Molecular Formula | C7H9O4- |
|---|---|
| Molecular Weight | 157.05 g/mol |
| LogP | -0.7543 |
| Topological Polar Surface Area | 66.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 157.05008 |
| Heavy Atoms | 11 |
| Complexity | 161.8235 |
Chemical Identifiers
| CAS Number | 3882-09-5 |
|---|---|
| SMILES | C=CCOC(=O)CCC(=O)[O-] |
Product Overview
Butanedioic acid, mono-2-propenyl ester (CAS 3882-09-5), with molecular formula C7H9O4- and molecular weight 157.05 g/mol. IUPAC: 4-oxo-4-prop-2-enoxybutanoate.
Chemical Property Profile of Butanedioic acid, mono-2-propenyl ester
Property Insights of Butanedioic acid, mono-2-propenyl ester
The XLogP value of -0.7543 indicates that Butanedioic acid, mono-2-propenyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, mono-2-propenyl ester. Following Lipinski's Rule of Five, Butanedioic acid, mono-2-propenyl ester has 0 hydrogen bond donor(s) and 4 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 Butanedioic acid, mono-2-propenyl ester?
The CAS number of Butanedioic acid, mono-2-propenyl ester is 3882-09-5.
What is the molecular formula of Butanedioic acid, mono-2-propenyl ester?
The molecular formula of Butanedioic acid, mono-2-propenyl ester is C7H9O4-.
What is the molecular weight of Butanedioic acid, mono-2-propenyl ester?
The molecular weight of Butanedioic acid, mono-2-propenyl ester is 157.05 g/mol.
Where can I buy Butanedioic acid, mono-2-propenyl ester?
You can request a quote for Butanedioic acid, mono-2-propenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, mono-2-propenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, mono-2-propenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.