4-(3-Methylbutoxy)-4-oxobut-2-enoic acid
TL;DR: 4-(3-Methylbutoxy)-4-oxobut-2-enoic acid (CAS 93858-95-8) is a chemical compound with molecular formula C9H14O4 and molecular weight 186.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methylbutoxy)-4-oxobut-2-enoic acid
Also Known As: 1-(3-Methylbutyl) 2-butenedioate, 4-(3-methylbutoxy)-4-oxobut-2-enoic acid, 3-Methylbutyl hydrogen 2-butenedioate, 4-(3-methylbutoxy)-4-oxo-but-2-enoic Acid
| Molecular Formula | C9H14O4 |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | 1.2165 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 186.0892 |
| Heavy Atoms | 13 |
| Complexity | 205.66025 |
Chemical Identifiers
| CAS Number | 93858-95-8 |
|---|---|
| SMILES | CC(C)CCOC(=O)C=CC(=O)O |
Product Overview
4-(3-Methylbutoxy)-4-oxobut-2-enoic acid (CAS 93858-95-8), with molecular formula C9H14O4 and molecular weight 186.09 g/mol. IUPAC: 4-(3-methylbutoxy)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(3-Methylbutoxy)-4-oxobut-2-enoic acid
Property Insights of 4-(3-Methylbutoxy)-4-oxobut-2-enoic acid
The XLogP value of 1.2165 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Methylbutoxy)-4-oxobut-2-enoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Methylbutoxy)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-(3-Methylbutoxy)-4-oxobut-2-enoic acid has 1 hydrogen bond donor(s) and 3 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 4-(3-Methylbutoxy)-4-oxobut-2-enoic acid?
The CAS number of 4-(3-Methylbutoxy)-4-oxobut-2-enoic acid is 93858-95-8.
What is the molecular formula of 4-(3-Methylbutoxy)-4-oxobut-2-enoic acid?
The molecular formula of 4-(3-Methylbutoxy)-4-oxobut-2-enoic acid is C9H14O4.
What is the molecular weight of 4-(3-Methylbutoxy)-4-oxobut-2-enoic acid?
The molecular weight of 4-(3-Methylbutoxy)-4-oxobut-2-enoic acid is 186.09 g/mol.
Where can I buy 4-(3-Methylbutoxy)-4-oxobut-2-enoic acid?
You can request a quote for 4-(3-Methylbutoxy)-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Methylbutoxy)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Methylbutoxy)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.