2-(Hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid
TL;DR: 2-(Hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid (CAS 66823-04-9) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid
Also Known As: Milnacipran impurity 34, 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid, J3.269.800J, Cyclopropanecarboxylic acid, 2-(hydroxymethyl)-1-phenyl-, 2-(Hydroxymethyl)-1-phenylcyclopropanecarboxylic acid
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 66823-04-9 |
|---|---|
| SMILES | C1C(C1(C2=CC=CC=C2)C(=O)O)CO |
| InChIKey | PSMORJXEGALFGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid (CAS 66823-04-9), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid.
Chemical Property Profile of 2-(Hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid
Property Insights of 2-(Hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid. With a topological polar surface area (TPSA) of 57.5 Ų, 2-(Hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Hydroxymethyl)-1-phenylcyclopropane-1-carboxylic 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 2-(Hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid?
The CAS number of 2-(Hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid is 66823-04-9.
What is the molecular formula of 2-(Hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid?
The molecular formula of 2-(Hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid is C11H12O3.
What is the molecular weight of 2-(Hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid?
The molecular weight of 2-(Hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid is 192.08 g/mol.
Where can I buy 2-(Hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid?
You can request a quote for 2-(Hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.