Benzeneacetic acid, a-(3-methylcyclohexylidene)-
TL;DR: Benzeneacetic acid, a-(3-methylcyclohexylidene)- (CAS 5449-30-9) is a chemical compound with molecular formula C15H18O2 and molecular weight 230.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylcyclohexylidene)-2-phenylacetic acid
Also Known As: 2-(3-methylcyclohexylidene)-2-phenylacetic acid, Benzeneacetic acid, a-(3-methylcyclohexylidene)-
| Molecular Formula | C15H18O2 |
|---|---|
| Molecular Weight | 230.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.13068 |
| Heavy Atoms | 17 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 5449-30-9 |
|---|---|
| SMILES | CC1CCCC(=C(C2=CC=CC=C2)C(=O)O)C1 |
| InChIKey | ZYPVTFBEDVKXEF-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, a-(3-methylcyclohexylidene)- (CAS 5449-30-9), with molecular formula C15H18O2 and molecular weight 230.13 g/mol. IUPAC: 2-(3-methylcyclohexylidene)-2-phenylacetic acid.
Chemical Property Profile of Benzeneacetic acid, a-(3-methylcyclohexylidene)-
Property Insights of Benzeneacetic acid, a-(3-methylcyclohexylidene)-
The XLogP value of 3.7 indicates that Benzeneacetic acid, a-(3-methylcyclohexylidene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Benzeneacetic acid, a-(3-methylcyclohexylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, a-(3-methylcyclohexylidene)- has 1 hydrogen bond donor(s) and 2 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 Benzeneacetic acid, a-(3-methylcyclohexylidene)-?
The CAS number of Benzeneacetic acid, a-(3-methylcyclohexylidene)- is 5449-30-9.
What is the molecular formula of Benzeneacetic acid, a-(3-methylcyclohexylidene)-?
The molecular formula of Benzeneacetic acid, a-(3-methylcyclohexylidene)- is C15H18O2.
What is the molecular weight of Benzeneacetic acid, a-(3-methylcyclohexylidene)-?
The molecular weight of Benzeneacetic acid, a-(3-methylcyclohexylidene)- is 230.13 g/mol.
Where can I buy Benzeneacetic acid, a-(3-methylcyclohexylidene)-?
You can request a quote for Benzeneacetic acid, a-(3-methylcyclohexylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, a-(3-methylcyclohexylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, a-(3-methylcyclohexylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.