2-Methylcyclohexylideneacetic acid
TL;DR: 2-Methylcyclohexylideneacetic acid (CAS 35116-28-0) is a chemical compound with molecular formula C9H14O2 and molecular weight 154.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylcyclohexylidene)acetic acid
Also Known As: 2-methylcyclohexylideneacetic acid, 2-(2-methylcyclohexylidene)acetic Acid, (2-methyl-cyclohexyliden)-acetic acid
| Molecular Formula | C9H14O2 |
|---|---|
| Molecular Weight | 154.10 g/mol |
| LogP | 2.2075 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.09938 |
| Heavy Atoms | 11 |
| Complexity | 182.00175 |
Chemical Identifiers
| CAS Number | 35116-28-0 |
|---|---|
| SMILES | CC1CCCCC1=CC(=O)O |
Product Overview
2-Methylcyclohexylideneacetic acid (CAS 35116-28-0), with molecular formula C9H14O2 and molecular weight 154.10 g/mol. IUPAC: 2-(2-methylcyclohexylidene)acetic acid.
Chemical Property Profile of 2-Methylcyclohexylideneacetic acid
Property Insights of 2-Methylcyclohexylideneacetic acid
The XLogP value of 2.2075 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylcyclohexylideneacetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Methylcyclohexylideneacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylcyclohexylideneacetic acid has 1 hydrogen bond donor(s) and 1 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 2-Methylcyclohexylideneacetic acid?
The CAS number of 2-Methylcyclohexylideneacetic acid is 35116-28-0.
What is the molecular formula of 2-Methylcyclohexylideneacetic acid?
The molecular formula of 2-Methylcyclohexylideneacetic acid is C9H14O2.
What is the molecular weight of 2-Methylcyclohexylideneacetic acid?
The molecular weight of 2-Methylcyclohexylideneacetic acid is 154.10 g/mol.
Where can I buy 2-Methylcyclohexylideneacetic acid?
You can request a quote for 2-Methylcyclohexylideneacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylcyclohexylideneacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylcyclohexylideneacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.