trans-2-Phenylcyclopropanecarboxylic acid
TL;DR: trans-2-Phenylcyclopropanecarboxylic acid (CAS 939-89-9) is a chemical compound with molecular formula C10H10O2 and molecular weight 162.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(1R,2R)-2-phenylcyclopropane-1-carboxylic acid
Also Known As: trans-2-Phenylcyclopropanecarboxylic acid, (1R,2R)-2-phenylcyclopropanecarboxylic acid, trans-2-Phenyl-1-cyclopropanecarboxylic acid, 2-PhCPCOOH, (1R,2R)-2-phenylcyclopropane-1-carboxylic acid
| Molecular Formula | C10H10O2 |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.06808 |
| Heavy Atoms | 12 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 939-89-9 |
|---|---|
| SMILES | C1[C@H]([C@@H]1C(=O)O)C2=CC=CC=C2 |
| InChIKey | AHDDRJBFJBDEPW-DTWKUNHWSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
trans-2-Phenylcyclopropanecarboxylic acid (CAS 939-89-9), with molecular formula C10H10O2 and molecular weight 162.07 g/mol. IUPAC: trans-(1R,2R)-2-phenylcyclopropane-1-carboxylic acid.
Chemical Property Profile of trans-2-Phenylcyclopropanecarboxylic acid
Property Insights of trans-2-Phenylcyclopropanecarboxylic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-2-Phenylcyclopropanecarboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, trans-2-Phenylcyclopropanecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-2-Phenylcyclopropanecarboxylic 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 trans-2-Phenylcyclopropanecarboxylic acid?
The CAS number of trans-2-Phenylcyclopropanecarboxylic acid is 939-89-9.
What is the molecular formula of trans-2-Phenylcyclopropanecarboxylic acid?
The molecular formula of trans-2-Phenylcyclopropanecarboxylic acid is C10H10O2.
What is the molecular weight of trans-2-Phenylcyclopropanecarboxylic acid?
The molecular weight of trans-2-Phenylcyclopropanecarboxylic acid is 162.07 g/mol.
Where can I buy trans-2-Phenylcyclopropanecarboxylic acid?
You can request a quote for trans-2-Phenylcyclopropanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-2-Phenylcyclopropanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for trans-2-Phenylcyclopropanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.