3-(1-Hydroxycyclohexyl)prop-2-ynoic acid
TL;DR: 3-(1-Hydroxycyclohexyl)prop-2-ynoic acid (CAS 25294-58-0) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-hydroxycyclohexyl)prop-2-ynoic acid
Also Known As: 3-(1-hydroxycyclohexyl)prop-2-ynoic acid, ZERO/005688, (1-hydroxy-cyclohexyl)-propiolic acid, 3-(1-Hydroxycyclohexyl)propiolic acid, 3-(hydroxycyclohexyl)prop-2-ynoic acid
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 0.7696 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 227.89354 |
Chemical Identifiers
| CAS Number | 25294-58-0 |
|---|---|
| SMILES | C1CCC(CC1)(C#CC(=O)O)O |
Product Overview
3-(1-Hydroxycyclohexyl)prop-2-ynoic acid (CAS 25294-58-0), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: 3-(1-hydroxycyclohexyl)prop-2-ynoic acid.
Chemical Property Profile of 3-(1-Hydroxycyclohexyl)prop-2-ynoic acid
Property Insights of 3-(1-Hydroxycyclohexyl)prop-2-ynoic acid
The XLogP value of 0.7696 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Hydroxycyclohexyl)prop-2-ynoic acid. With a topological polar surface area (TPSA) of 57.53 Ų, 3-(1-Hydroxycyclohexyl)prop-2-ynoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Hydroxycyclohexyl)prop-2-ynoic acid has 2 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 3-(1-Hydroxycyclohexyl)prop-2-ynoic acid?
The CAS number of 3-(1-Hydroxycyclohexyl)prop-2-ynoic acid is 25294-58-0.
What is the molecular formula of 3-(1-Hydroxycyclohexyl)prop-2-ynoic acid?
The molecular formula of 3-(1-Hydroxycyclohexyl)prop-2-ynoic acid is C9H12O3.
What is the molecular weight of 3-(1-Hydroxycyclohexyl)prop-2-ynoic acid?
The molecular weight of 3-(1-Hydroxycyclohexyl)prop-2-ynoic acid is 168.08 g/mol.
Where can I buy 3-(1-Hydroxycyclohexyl)prop-2-ynoic acid?
You can request a quote for 3-(1-Hydroxycyclohexyl)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-Hydroxycyclohexyl)prop-2-ynoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Hydroxycyclohexyl)prop-2-ynoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.