3-(1-Hydroxy-2,2,6-trimethylcyclohexyl)prop-2-ynoic acid
TL;DR: 3-(1-Hydroxy-2,2,6-trimethylcyclohexyl)prop-2-ynoic acid (CAS 7498-60-4) is a chemical compound with molecular formula C12H18O3 and molecular weight 210.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-hydroxy-2,2,6-trimethylcyclohexyl)prop-2-ynoic acid
Also Known As: 3-(1-hydroxy-2,2,6-trimethylcyclohexyl)prop-2-ynoic acid, 2-Propynoicacid, 3-(1-hydroxy-2,2,6-trimethylcyclohexyl)-, 3,3,3-trichloro-2-p-tolyl-propionic acid ethyl ester
| Molecular Formula | C12H18O3 |
|---|---|
| Molecular Weight | 210.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.1256 |
| Heavy Atoms | 15 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 7498-60-4 |
|---|---|
| SMILES | CC1CCCC(C1(C#CC(=O)O)O)(C)C |
| InChIKey | CLECYQRDJATPOF-UHFFFAOYSA-N |
Product Overview
3-(1-Hydroxy-2,2,6-trimethylcyclohexyl)prop-2-ynoic acid (CAS 7498-60-4), with molecular formula C12H18O3 and molecular weight 210.13 g/mol. IUPAC: 3-(1-hydroxy-2,2,6-trimethylcyclohexyl)prop-2-ynoic acid.
Chemical Property Profile of 3-(1-Hydroxy-2,2,6-trimethylcyclohexyl)prop-2-ynoic acid
Property Insights of 3-(1-Hydroxy-2,2,6-trimethylcyclohexyl)prop-2-ynoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Hydroxy-2,2,6-trimethylcyclohexyl)prop-2-ynoic acid. With a topological polar surface area (TPSA) of 57.5 Ų, 3-(1-Hydroxy-2,2,6-trimethylcyclohexyl)prop-2-ynoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Hydroxy-2,2,6-trimethylcyclohexyl)prop-2-ynoic acid has 2 hydrogen bond donor(s) and 3 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 3-(1-Hydroxy-2,2,6-trimethylcyclohexyl)prop-2-ynoic acid?
The CAS number of 3-(1-Hydroxy-2,2,6-trimethylcyclohexyl)prop-2-ynoic acid is 7498-60-4.
What is the molecular formula of 3-(1-Hydroxy-2,2,6-trimethylcyclohexyl)prop-2-ynoic acid?
The molecular formula of 3-(1-Hydroxy-2,2,6-trimethylcyclohexyl)prop-2-ynoic acid is C12H18O3.
What is the molecular weight of 3-(1-Hydroxy-2,2,6-trimethylcyclohexyl)prop-2-ynoic acid?
The molecular weight of 3-(1-Hydroxy-2,2,6-trimethylcyclohexyl)prop-2-ynoic acid is 210.13 g/mol.
Where can I buy 3-(1-Hydroxy-2,2,6-trimethylcyclohexyl)prop-2-ynoic acid?
You can request a quote for 3-(1-Hydroxy-2,2,6-trimethylcyclohexyl)prop-2-ynoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Hydroxy-2,2,6-trimethylcyclohexyl)prop-2-ynoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Hydroxy-2,2,6-trimethylcyclohexyl)prop-2-ynoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.