3-Methyl-2-butenoic acid, cyclohexyl ester
TL;DR: 3-Methyl-2-butenoic acid, cyclohexyl ester (CAS 30434-53-8) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 3-methylbut-2-enoate
Also Known As: Cyclohexyl 3-methyl-2-butenoate, cyclohexyl 3-methylbut-2-enoate, 3-methyl-crotonic acid cyclohexyl ester, Cyclohexyl 3-methyl-2-butenoate #, 3-Methyl-2-butenoic acid, cyclohexyl ester
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 30434-53-8 |
|---|---|
| SMILES | CC(=CC(=O)OC1CCCCC1)C |
| InChIKey | OVKBLLDVORGJCA-UHFFFAOYSA-N |
Product Overview
3-Methyl-2-butenoic acid, cyclohexyl ester (CAS 30434-53-8), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: cyclohexyl 3-methylbut-2-enoate.
Chemical Property Profile of 3-Methyl-2-butenoic acid, cyclohexyl ester
Property Insights of 3-Methyl-2-butenoic acid, cyclohexyl ester
The XLogP value of 3.4 indicates that 3-Methyl-2-butenoic acid, cyclohexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Methyl-2-butenoic acid, cyclohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2-butenoic acid, cyclohexyl ester has 0 hydrogen bond donor(s) and 2 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 3-Methyl-2-butenoic acid, cyclohexyl ester?
The CAS number of 3-Methyl-2-butenoic acid, cyclohexyl ester is 30434-53-8.
What is the molecular formula of 3-Methyl-2-butenoic acid, cyclohexyl ester?
The molecular formula of 3-Methyl-2-butenoic acid, cyclohexyl ester is C11H18O2.
What is the molecular weight of 3-Methyl-2-butenoic acid, cyclohexyl ester?
The molecular weight of 3-Methyl-2-butenoic acid, cyclohexyl ester is 182.13 g/mol.
Where can I buy 3-Methyl-2-butenoic acid, cyclohexyl ester?
You can request a quote for 3-Methyl-2-butenoic acid, cyclohexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-butenoic acid, cyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-butenoic acid, cyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.