1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-
TL;DR: 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)- (CAS 17844-07-4) is a chemical compound with molecular formula C15H24O3 and molecular weight 252.17 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)cyclohexene-1-carboxylic acid
Also Known As: Todomatuic acid, J1.565.137G, 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-, 4-(6-methyl-4-oxoheptan-2-yl)cyclohex-1-ene-1-carboxylic acid, 4-(1,5-Dimethyl-3-oxohexyl)-1-cyclohexene-1-carboxylic acid
| Molecular Formula | C15H24O3 |
|---|---|
| Molecular Weight | 252.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.17255 |
| Heavy Atoms | 18 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 17844-07-4 |
|---|---|
| SMILES | CC(C)CC(=O)CC(C)C1CCC(=CC1)C(=O)O |
| InChIKey | XPXCWUPURKUWHC-UHFFFAOYSA-N |
Product Overview
1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)- (CAS 17844-07-4), with molecular formula C15H24O3 and molecular weight 252.17 g/mol. IUPAC: 4-(6-methyl-4-oxoheptan-2-yl)cyclohexene-1-carboxylic acid.
Chemical Property Profile of 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-
Property Insights of 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-
The XLogP value of 3.1 indicates that 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)- 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 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-?
The CAS number of 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)- is 17844-07-4.
What is the molecular formula of 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-?
The molecular formula of 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)- is C15H24O3.
What is the molecular weight of 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-?
The molecular weight of 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)- is 252.17 g/mol.
Where can I buy 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-?
You can request a quote for 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.