2,2-Bis((allyloxy)methyl)butyl hydrogen maleate
TL;DR: 2,2-Bis((allyloxy)methyl)butyl hydrogen maleate (CAS 53632-09-0) is a chemical compound with molecular formula C16H24O6 and molecular weight 312.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,2-bis(prop-2-enoxymethyl)butoxy]-4-oxobut-2-enoic acid
Also Known As: 2,2-Bis((allyloxy)methyl)butyl hydrogen maleate, 2,2-BIS[(ALLYLOXY)METHYL]BUTYL HYDROGEN MALEATE, 4-[2,2-bis(prop-2-enoxymethyl)butoxy]-4-oxobut-2-enoic acid, 2-Butenedioic acid (Z)-, mono(2,2-bis((2-propenyloxy)methyl)butyl) ester, 4-(2,2-Bis{[(prop-2-en-1-yl)oxy]methyl}butoxy)-4-oxobut-2-enoic acid
| Molecular Formula | C16H24O6 |
|---|---|
| Molecular Weight | 312.16 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 312.1573 |
| Heavy Atoms | 22 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 53632-09-0 |
|---|---|
| SMILES | CCC(COCC=C)(COCC=C)COC(=O)C=CC(=O)O |
| InChIKey | UFCISMKNGKHPKI-UHFFFAOYSA-N |
Product Overview
2,2-Bis((allyloxy)methyl)butyl hydrogen maleate (CAS 53632-09-0), with molecular formula C16H24O6 and molecular weight 312.16 g/mol. IUPAC: 4-[2,2-bis(prop-2-enoxymethyl)butoxy]-4-oxobut-2-enoic acid.
Chemical Property Profile of 2,2-Bis((allyloxy)methyl)butyl hydrogen maleate
Property Insights of 2,2-Bis((allyloxy)methyl)butyl hydrogen maleate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Bis((allyloxy)methyl)butyl hydrogen maleate. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Bis((allyloxy)methyl)butyl hydrogen maleate. Following Lipinski's Rule of Five, 2,2-Bis((allyloxy)methyl)butyl hydrogen maleate has 1 hydrogen bond donor(s) and 6 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 2,2-Bis((allyloxy)methyl)butyl hydrogen maleate?
The CAS number of 2,2-Bis((allyloxy)methyl)butyl hydrogen maleate is 53632-09-0.
What is the molecular formula of 2,2-Bis((allyloxy)methyl)butyl hydrogen maleate?
The molecular formula of 2,2-Bis((allyloxy)methyl)butyl hydrogen maleate is C16H24O6.
What is the molecular weight of 2,2-Bis((allyloxy)methyl)butyl hydrogen maleate?
The molecular weight of 2,2-Bis((allyloxy)methyl)butyl hydrogen maleate is 312.16 g/mol.
Where can I buy 2,2-Bis((allyloxy)methyl)butyl hydrogen maleate?
You can request a quote for 2,2-Bis((allyloxy)methyl)butyl hydrogen maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Bis((allyloxy)methyl)butyl hydrogen maleate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Bis((allyloxy)methyl)butyl hydrogen maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.