Cycloheptylidene(phenyl)acetic acid
TL;DR: Cycloheptylidene(phenyl)acetic acid (CAS 5472-47-9) 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-cycloheptylidene-2-phenylacetic acid
Also Known As: cycloheptylidene(phenyl)acetic acid, 2-cycloheptylidene-2-phenylacetic acid, 4-Amino-2-methyl-5-carbethoxy-pyrimidin
| Molecular Formula | C15H18O2 |
|---|---|
| Molecular Weight | 230.13 g/mol |
| LogP | 4.0 |
| 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 | 288.0 |
Chemical Identifiers
| CAS Number | 5472-47-9 |
|---|---|
| SMILES | C1CCCC(=C(C2=CC=CC=C2)C(=O)O)CC1 |
| InChIKey | URANACQTTAQLQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cycloheptylidene(phenyl)acetic acid (CAS 5472-47-9), with molecular formula C15H18O2 and molecular weight 230.13 g/mol. IUPAC: 2-cycloheptylidene-2-phenylacetic acid.
Chemical Property Profile of Cycloheptylidene(phenyl)acetic acid
Property Insights of Cycloheptylidene(phenyl)acetic acid
The XLogP value of 4.0 indicates that Cycloheptylidene(phenyl)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Cycloheptylidene(phenyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cycloheptylidene(phenyl)acetic acid 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 Cycloheptylidene(phenyl)acetic acid?
The CAS number of Cycloheptylidene(phenyl)acetic acid is 5472-47-9.
What is the molecular formula of Cycloheptylidene(phenyl)acetic acid?
The molecular formula of Cycloheptylidene(phenyl)acetic acid is C15H18O2.
What is the molecular weight of Cycloheptylidene(phenyl)acetic acid?
The molecular weight of Cycloheptylidene(phenyl)acetic acid is 230.13 g/mol.
Where can I buy Cycloheptylidene(phenyl)acetic acid?
You can request a quote for Cycloheptylidene(phenyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cycloheptylidene(phenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for Cycloheptylidene(phenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.