(1,4,4-Trimethyl-cyclohex-2-enyl)-acetic acid
TL;DR: (1,4,4-Trimethyl-cyclohex-2-enyl)-acetic acid (CAS 147397-88-4) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,4,4-trimethylcyclohex-2-en-1-yl)acetic acid
Also Known As: (1,4,4-Trimethyl-cyclohex-2-enyl)-acetic acid, (1,4,4-trimethylcyclohex-2-en-1-yl)acetic acid, (1,4,4-Trimethyl-2-cyclohexen-1-yl)acetic acid #, 2-(1,4,4-trimethyl-cyclohex-2-enyl) acetic acid, 2-(1,4,4-trimethylcyclohex-2-en-1-yl)acetic acid
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 147397-88-4 |
|---|---|
| SMILES | CC1(CCC(C=C1)(C)CC(=O)O)C |
| InChIKey | MPDMOXIHWDLBSK-UHFFFAOYSA-N |
Product Overview
(1,4,4-Trimethyl-cyclohex-2-enyl)-acetic acid (CAS 147397-88-4), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: 2-(1,4,4-trimethylcyclohex-2-en-1-yl)acetic acid.
Chemical Property Profile of (1,4,4-Trimethyl-cyclohex-2-enyl)-acetic acid
Property Insights of (1,4,4-Trimethyl-cyclohex-2-enyl)-acetic acid
The XLogP value of 3.2 indicates that (1,4,4-Trimethyl-cyclohex-2-enyl)-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, (1,4,4-Trimethyl-cyclohex-2-enyl)-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,4,4-Trimethyl-cyclohex-2-enyl)-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 (1,4,4-Trimethyl-cyclohex-2-enyl)-acetic acid?
The CAS number of (1,4,4-Trimethyl-cyclohex-2-enyl)-acetic acid is 147397-88-4.
What is the molecular formula of (1,4,4-Trimethyl-cyclohex-2-enyl)-acetic acid?
The molecular formula of (1,4,4-Trimethyl-cyclohex-2-enyl)-acetic acid is C11H18O2.
What is the molecular weight of (1,4,4-Trimethyl-cyclohex-2-enyl)-acetic acid?
The molecular weight of (1,4,4-Trimethyl-cyclohex-2-enyl)-acetic acid is 182.13 g/mol.
Where can I buy (1,4,4-Trimethyl-cyclohex-2-enyl)-acetic acid?
You can request a quote for (1,4,4-Trimethyl-cyclohex-2-enyl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,4,4-Trimethyl-cyclohex-2-enyl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (1,4,4-Trimethyl-cyclohex-2-enyl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.