4-Methoxycyclohexaneacetic acid
TL;DR: 4-Methoxycyclohexaneacetic acid (CAS 879877-61-9) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxycyclohexyl)acetic acid
Also Known As: 2-(4-methoxycyclohexyl)acetic Acid, 4-Methoxycyclohexaneacetic acid, (4-Methoxycyclohexyl)acetic acid, Cyclohexaneacetic acid, 4-methoxy-, (4-methoxy-cyclohexyl)-acetic acid
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 1.6663 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 147.85263 |
Chemical Identifiers
| CAS Number | 879877-61-9 |
|---|---|
| SMILES | COC1CCC(CC1)CC(=O)O |
Product Overview
4-Methoxycyclohexaneacetic acid (CAS 879877-61-9), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: 2-(4-methoxycyclohexyl)acetic acid.
Chemical Property Profile of 4-Methoxycyclohexaneacetic acid
Property Insights of 4-Methoxycyclohexaneacetic acid
The XLogP value of 1.6663 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxycyclohexaneacetic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 4-Methoxycyclohexaneacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxycyclohexaneacetic 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 4-Methoxycyclohexaneacetic acid?
The CAS number of 4-Methoxycyclohexaneacetic acid is 879877-61-9.
What is the molecular formula of 4-Methoxycyclohexaneacetic acid?
The molecular formula of 4-Methoxycyclohexaneacetic acid is C9H16O3.
What is the molecular weight of 4-Methoxycyclohexaneacetic acid?
The molecular weight of 4-Methoxycyclohexaneacetic acid is 172.11 g/mol.
Where can I buy 4-Methoxycyclohexaneacetic acid?
You can request a quote for 4-Methoxycyclohexaneacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxycyclohexaneacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxycyclohexaneacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.