2-Cycloheptylacetic acid
TL;DR: 2-Cycloheptylacetic acid (CAS 4401-20-1) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cycloheptylacetic acid
Also Known As: 2-cycloheptylacetic acid, cycloheptylacetic acid, Cycloheptaneacetic acid, 2-cycloheptylaceticacid, CYCLOHEPTYLACETICACID
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 4401-20-1 |
|---|---|
| SMILES | C1CCCC(CC1)CC(=O)O |
| InChIKey | DQNWKASPZFJVMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cycloheptylacetic acid (CAS 4401-20-1), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: 2-cycloheptylacetic acid.
Chemical Property Profile of 2-Cycloheptylacetic acid
Property Insights of 2-Cycloheptylacetic acid
The XLogP value of 3.0 indicates that 2-Cycloheptylacetic 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, 2-Cycloheptylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cycloheptylacetic 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 2-Cycloheptylacetic acid?
The CAS number of 2-Cycloheptylacetic acid is 4401-20-1.
What is the molecular formula of 2-Cycloheptylacetic acid?
The molecular formula of 2-Cycloheptylacetic acid is C9H16O2.
What is the molecular weight of 2-Cycloheptylacetic acid?
The molecular weight of 2-Cycloheptylacetic acid is 156.12 g/mol.
Where can I buy 2-Cycloheptylacetic acid?
You can request a quote for 2-Cycloheptylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cycloheptylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Cycloheptylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.