Butanoic acid, 2(or 3)-methyl-, cyclohexyl ester
TL;DR: Butanoic acid, 2(or 3)-methyl-, cyclohexyl ester (CAS 72845-95-5) is a chemical compound with molecular formula C11H18O4 and molecular weight 214.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-4-cyclohexyloxy-2-methyl-4-oxobutanoic acid
Also Known As: Cyclohexyl methylbutyrate, Cyclohexyl 2(or 3)-methylbutyrate, Butanoic acid, 2(or 3)-methyl-, cyclohexyl ester, (2R)-4-cyclohexyloxy-2-methyl-4-oxobutanoic acid, RefChem:122078
| Molecular Formula | C11H18O4 |
|---|---|
| Molecular Weight | 214.12 g/mol |
| LogP | 1.9731 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.12051 |
| Heavy Atoms | 15 |
| Complexity | 230.74242 |
Chemical Identifiers
| CAS Number | 72845-95-5 |
|---|---|
| SMILES | C[C@H](CC(=O)OC1CCCCC1)C(=O)O |
Product Overview
Butanoic acid, 2(or 3)-methyl-, cyclohexyl ester (CAS 72845-95-5), with molecular formula C11H18O4 and molecular weight 214.12 g/mol. IUPAC: (2R)-4-cyclohexyloxy-2-methyl-4-oxobutanoic acid.
Chemical Property Profile of Butanoic acid, 2(or 3)-methyl-, cyclohexyl ester
Property Insights of Butanoic acid, 2(or 3)-methyl-, cyclohexyl ester
The XLogP value of 1.9731 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 2(or 3)-methyl-, cyclohexyl ester. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 2(or 3)-methyl-, cyclohexyl ester. Following Lipinski's Rule of Five, Butanoic acid, 2(or 3)-methyl-, cyclohexyl ester 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 Butanoic acid, 2(or 3)-methyl-, cyclohexyl ester?
The CAS number of Butanoic acid, 2(or 3)-methyl-, cyclohexyl ester is 72845-95-5.
What is the molecular formula of Butanoic acid, 2(or 3)-methyl-, cyclohexyl ester?
The molecular formula of Butanoic acid, 2(or 3)-methyl-, cyclohexyl ester is C11H18O4.
What is the molecular weight of Butanoic acid, 2(or 3)-methyl-, cyclohexyl ester?
The molecular weight of Butanoic acid, 2(or 3)-methyl-, cyclohexyl ester is 214.12 g/mol.
Where can I buy Butanoic acid, 2(or 3)-methyl-, cyclohexyl ester?
You can request a quote for Butanoic acid, 2(or 3)-methyl-, cyclohexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 2(or 3)-methyl-, cyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 2(or 3)-methyl-, cyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.