Propanoic acid, 2-hydroxy-, cyclohexyl ester
TL;DR: Propanoic acid, 2-hydroxy-, cyclohexyl ester (CAS 68791-95-7) 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.
cyclohexyl 2-hydroxypropanoate
Also Known As: Cyclohexyllactat, cyclohexyl 2-hydroxypropanoate, Lactic acid, cyclohexyl ester, Propanoic acid, 2-hydroxy-, cyclohexyl ester, Propanoic acid,2-hydroxy-,cyclohexyl ester
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 68791-95-7 |
|---|---|
| SMILES | CC(C(=O)OC1CCCCC1)O |
| InChIKey | MLXVQJMYSKICMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 2-hydroxy-, cyclohexyl ester (CAS 68791-95-7), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: cyclohexyl 2-hydroxypropanoate.
Chemical Property Profile of Propanoic acid, 2-hydroxy-, cyclohexyl ester
Property Insights of Propanoic acid, 2-hydroxy-, cyclohexyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 2-hydroxy-, cyclohexyl ester. With a topological polar surface area (TPSA) of 46.5 Ų, Propanoic acid, 2-hydroxy-, cyclohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2-hydroxy-, cyclohexyl ester has 1 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 Propanoic acid, 2-hydroxy-, cyclohexyl ester?
The CAS number of Propanoic acid, 2-hydroxy-, cyclohexyl ester is 68791-95-7.
What is the molecular formula of Propanoic acid, 2-hydroxy-, cyclohexyl ester?
The molecular formula of Propanoic acid, 2-hydroxy-, cyclohexyl ester is C9H16O3.
What is the molecular weight of Propanoic acid, 2-hydroxy-, cyclohexyl ester?
The molecular weight of Propanoic acid, 2-hydroxy-, cyclohexyl ester is 172.11 g/mol.
Where can I buy Propanoic acid, 2-hydroxy-, cyclohexyl ester?
You can request a quote for Propanoic acid, 2-hydroxy-, cyclohexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2-hydroxy-, cyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-hydroxy-, cyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.