Butyl 2-hydroxymethylethyl maleate
TL;DR: Butyl 2-hydroxymethylethyl maleate (CAS 16323-47-0) is a chemical compound with molecular formula C11H18O5 and molecular weight 230.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-butyl 4-O-(3-hydroxypropyl) (Z)-but-2-enedioate
Also Known As: Butyl 2-hydroxymethylethyl maleate, EINECS 288-851-6, Butyl 3-hydroxypropyl (2Z)-but-2-enedioate, 1-O-butyl 4-O-(3-hydroxypropyl) but-2-enedioate, 1-O-butyl 4-O-(3-hydroxypropyl) (Z)-but-2-enedioate
| Molecular Formula | C11H18O5 |
|---|---|
| Molecular Weight | 230.12 g/mol |
| LogP | 0.8115 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 230.11542 |
| Heavy Atoms | 16 |
| Complexity | 210.52942 |
Chemical Identifiers
| CAS Number | 16323-47-0 |
|---|---|
| SMILES | CCCCOC(=O)/C=C\C(=O)OCCCO |
Product Overview
Butyl 2-hydroxymethylethyl maleate (CAS 16323-47-0), with molecular formula C11H18O5 and molecular weight 230.12 g/mol. IUPAC: 1-O-butyl 4-O-(3-hydroxypropyl) (Z)-but-2-enedioate.
Chemical Property Profile of Butyl 2-hydroxymethylethyl maleate
Property Insights of Butyl 2-hydroxymethylethyl maleate
The XLogP value of 0.8115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 2-hydroxymethylethyl maleate. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 2-hydroxymethylethyl maleate. Following Lipinski's Rule of Five, Butyl 2-hydroxymethylethyl maleate has 1 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 2-hydroxymethylethyl maleate?
The CAS number of Butyl 2-hydroxymethylethyl maleate is 16323-47-0.
What is the molecular formula of Butyl 2-hydroxymethylethyl maleate?
The molecular formula of Butyl 2-hydroxymethylethyl maleate is C11H18O5.
What is the molecular weight of Butyl 2-hydroxymethylethyl maleate?
The molecular weight of Butyl 2-hydroxymethylethyl maleate is 230.12 g/mol.
Where can I buy Butyl 2-hydroxymethylethyl maleate?
You can request a quote for Butyl 2-hydroxymethylethyl maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2-hydroxymethylethyl maleate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-hydroxymethylethyl maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.