2-But-1-enyl-2-prop-2-enylpropanedioic acid
TL;DR: 2-But-1-enyl-2-prop-2-enylpropanedioic acid (CAS 4354-96-5) 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.
2-but-1-enyl-2-prop-2-enylpropanedioic acid
Also Known As: 2-Allyl-2-(1-butenyl)malonic acid, 2-but-1-enyl-2-prop-2-enylpropanedioic acid
| Molecular Formula | C10H14O4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 198.0892 |
| Heavy Atoms | 14 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 4354-96-5 |
|---|---|
| SMILES | CCC=CC(CC=C)(C(=O)O)C(=O)O |
| InChIKey | CPVNSIXHGLVYQN-UHFFFAOYSA-N |
Product Overview
2-But-1-enyl-2-prop-2-enylpropanedioic acid (CAS 4354-96-5), with molecular formula C10H14O4 and molecular weight 198.09 g/mol. IUPAC: 2-but-1-enyl-2-prop-2-enylpropanedioic acid.
Chemical Property Profile of 2-But-1-enyl-2-prop-2-enylpropanedioic acid
Property Insights of 2-But-1-enyl-2-prop-2-enylpropanedioic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-But-1-enyl-2-prop-2-enylpropanedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-But-1-enyl-2-prop-2-enylpropanedioic acid. Following Lipinski's Rule of Five, 2-But-1-enyl-2-prop-2-enylpropanedioic acid has 2 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 2-But-1-enyl-2-prop-2-enylpropanedioic acid?
The CAS number of 2-But-1-enyl-2-prop-2-enylpropanedioic acid is 4354-96-5.
What is the molecular formula of 2-But-1-enyl-2-prop-2-enylpropanedioic acid?
The molecular formula of 2-But-1-enyl-2-prop-2-enylpropanedioic acid is C10H14O4.
What is the molecular weight of 2-But-1-enyl-2-prop-2-enylpropanedioic acid?
The molecular weight of 2-But-1-enyl-2-prop-2-enylpropanedioic acid is 198.09 g/mol.
Where can I buy 2-But-1-enyl-2-prop-2-enylpropanedioic acid?
You can request a quote for 2-But-1-enyl-2-prop-2-enylpropanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-But-1-enyl-2-prop-2-enylpropanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-But-1-enyl-2-prop-2-enylpropanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.