(1R,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
TL;DR: (1R,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid (CAS 93015-58-8) is a chemical compound with molecular formula C16H18O3 and molecular weight 258.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Also Known As: 6-benzoyl-3,4-dimethyl-3-cyclohexene-1-carboxylic acid, (1R,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
| Molecular Formula | C16H18O3 |
|---|---|
| Molecular Weight | 258.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.12558 |
| Heavy Atoms | 19 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 93015-58-8 |
|---|---|
| SMILES | CC1=C(C[C@H]([C@@H](C1)C(=O)C2=CC=CC=C2)C(=O)O)C |
| InChIKey | NTBMZRJTZGTJRB-ZIAGYGMSSA-N |
Product Overview
(1R,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid (CAS 93015-58-8), with molecular formula C16H18O3 and molecular weight 258.13 g/mol. IUPAC: (1R,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of (1R,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Property Insights of (1R,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid. With a topological polar surface area (TPSA) of 54.4 Ų, (1R,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-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 (1R,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid?
The CAS number of (1R,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid is 93015-58-8.
What is the molecular formula of (1R,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid?
The molecular formula of (1R,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid is C16H18O3.
What is the molecular weight of (1R,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid?
The molecular weight of (1R,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid is 258.13 g/mol.
Where can I buy (1R,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid?
You can request a quote for (1R,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-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 (1R,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (1R,6R)-6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.