4-(6-Methyl-4-oxoheptan-2-yl)cyclohexane-1-carboxylic acid
TL;DR: 4-(6-Methyl-4-oxoheptan-2-yl)cyclohexane-1-carboxylic acid (CAS 38963-91-6) is a chemical compound with molecular formula C15H26O3 and molecular weight 254.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-methyl-4-oxoheptan-2-yl)cyclohexane-1-carboxylic acid
Also Known As: cis-Dihydrotodomatuic Acid, 4-(6-methyl-4-oxoheptan-2-yl)cyclohexane-1-carboxylic acid, Cyclohexanecarboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-, 4beta-(1,5-Dimethyl-3-oxohexyl)cyclohexane-1beta-carboxylic acid, (1s,4s)-4-(6-methyl-4-oxoheptan-2-yl)cyclohexane-1-carboxylic acid
| Molecular Formula | C15H26O3 |
|---|---|
| Molecular Weight | 254.19 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.1882 |
| Heavy Atoms | 18 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 38963-91-6 |
|---|---|
| SMILES | CC(C)CC(=O)CC(C)C1CCC(CC1)C(=O)O |
| InChIKey | SJHMVTADTZCIMQ-UHFFFAOYSA-N |
Product Overview
4-(6-Methyl-4-oxoheptan-2-yl)cyclohexane-1-carboxylic acid (CAS 38963-91-6), with molecular formula C15H26O3 and molecular weight 254.19 g/mol. IUPAC: 4-(6-methyl-4-oxoheptan-2-yl)cyclohexane-1-carboxylic acid.
Chemical Property Profile of 4-(6-Methyl-4-oxoheptan-2-yl)cyclohexane-1-carboxylic acid
Property Insights of 4-(6-Methyl-4-oxoheptan-2-yl)cyclohexane-1-carboxylic acid
The XLogP value of 3.3 indicates that 4-(6-Methyl-4-oxoheptan-2-yl)cyclohexane-1-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 4-(6-Methyl-4-oxoheptan-2-yl)cyclohexane-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(6-Methyl-4-oxoheptan-2-yl)cyclohexane-1-carboxylic 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-(6-Methyl-4-oxoheptan-2-yl)cyclohexane-1-carboxylic acid?
The CAS number of 4-(6-Methyl-4-oxoheptan-2-yl)cyclohexane-1-carboxylic acid is 38963-91-6.
What is the molecular formula of 4-(6-Methyl-4-oxoheptan-2-yl)cyclohexane-1-carboxylic acid?
The molecular formula of 4-(6-Methyl-4-oxoheptan-2-yl)cyclohexane-1-carboxylic acid is C15H26O3.
What is the molecular weight of 4-(6-Methyl-4-oxoheptan-2-yl)cyclohexane-1-carboxylic acid?
The molecular weight of 4-(6-Methyl-4-oxoheptan-2-yl)cyclohexane-1-carboxylic acid is 254.19 g/mol.
Where can I buy 4-(6-Methyl-4-oxoheptan-2-yl)cyclohexane-1-carboxylic acid?
You can request a quote for 4-(6-Methyl-4-oxoheptan-2-yl)cyclohexane-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(6-Methyl-4-oxoheptan-2-yl)cyclohexane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(6-Methyl-4-oxoheptan-2-yl)cyclohexane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.