Butanedioic acid, 1,4-di-2-propen-1-yl ester
TL;DR: Butanedioic acid, 1,4-di-2-propen-1-yl ester (CAS 925-16-6) is a chemical compound with molecular formula C10H14O4 and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(prop-2-enyl) butanedioate
Also Known As: Diallyl succinate, Diallylsuccinate, Succinic acid, diallyl ester, Diallyl=succinate, bis(prop-2-enyl) butanedioate
| Molecular Formula | C10H14O4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 198.0892 |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 925-16-6 |
|---|---|
| SMILES | C=CCOC(=O)CCC(=O)OCC=C |
| InChIKey | HABAXTXIECRCKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanedioic acid, 1,4-di-2-propen-1-yl ester (CAS 925-16-6), with molecular formula C10H14O4 and molecular weight 198.09 g/mol. IUPAC: bis(prop-2-enyl) butanedioate.
Chemical Property Profile of Butanedioic acid, 1,4-di-2-propen-1-yl ester
Property Insights of Butanedioic acid, 1,4-di-2-propen-1-yl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, 1,4-di-2-propen-1-yl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Butanedioic acid, 1,4-di-2-propen-1-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanedioic acid, 1,4-di-2-propen-1-yl 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, 1,4-di-2-propen-1-yl ester?
The CAS number of Butanedioic acid, 1,4-di-2-propen-1-yl ester is 925-16-6.
What is the molecular formula of Butanedioic acid, 1,4-di-2-propen-1-yl ester?
The molecular formula of Butanedioic acid, 1,4-di-2-propen-1-yl ester is C10H14O4.
What is the molecular weight of Butanedioic acid, 1,4-di-2-propen-1-yl ester?
The molecular weight of Butanedioic acid, 1,4-di-2-propen-1-yl ester is 198.09 g/mol.
Where can I buy Butanedioic acid, 1,4-di-2-propen-1-yl ester?
You can request a quote for Butanedioic acid, 1,4-di-2-propen-1-yl 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, 1,4-di-2-propen-1-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, 1,4-di-2-propen-1-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.