2-Cyclopropene-1-carboxylic acid, 2-methyl-3-phenyl-, methyl ester
TL;DR: 2-Cyclopropene-1-carboxylic acid, 2-methyl-3-phenyl-, methyl ester (CAS 54564-58-8) is a chemical compound with molecular formula C12H12O2 and molecular weight 188.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-3-phenylcycloprop-2-ene-1-carboxylate
Also Known As: methyl 2-methyl-3-phenylcycloprop-2-ene-1-carboxylate, 2-Cyclopropene-1-carboxylic acid, 2-methyl-3-phenyl-, methyl ester, 2-Phenyl-3-methyl-2-cyclopropen-1-carbonsaeuremethylester, METHYL 2-METHYL-3-PHENYL-CYCLOPROP-2-ENE-1-CARBOXYLATE
| Molecular Formula | C12H12O2 |
|---|---|
| Molecular Weight | 188.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.08372 |
| Heavy Atoms | 14 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 54564-58-8 |
|---|---|
| SMILES | CC1=C(C1C(=O)OC)C2=CC=CC=C2 |
| InChIKey | PMIJDCMZUFOEOE-UHFFFAOYSA-N |
Product Overview
2-Cyclopropene-1-carboxylic acid, 2-methyl-3-phenyl-, methyl ester (CAS 54564-58-8), with molecular formula C12H12O2 and molecular weight 188.08 g/mol. IUPAC: methyl 2-methyl-3-phenylcycloprop-2-ene-1-carboxylate.
Chemical Property Profile of 2-Cyclopropene-1-carboxylic acid, 2-methyl-3-phenyl-, methyl ester
Property Insights of 2-Cyclopropene-1-carboxylic acid, 2-methyl-3-phenyl-, methyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclopropene-1-carboxylic acid, 2-methyl-3-phenyl-, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Cyclopropene-1-carboxylic acid, 2-methyl-3-phenyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclopropene-1-carboxylic acid, 2-methyl-3-phenyl-, methyl ester has 0 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 2-Cyclopropene-1-carboxylic acid, 2-methyl-3-phenyl-, methyl ester?
The CAS number of 2-Cyclopropene-1-carboxylic acid, 2-methyl-3-phenyl-, methyl ester is 54564-58-8.
What is the molecular formula of 2-Cyclopropene-1-carboxylic acid, 2-methyl-3-phenyl-, methyl ester?
The molecular formula of 2-Cyclopropene-1-carboxylic acid, 2-methyl-3-phenyl-, methyl ester is C12H12O2.
What is the molecular weight of 2-Cyclopropene-1-carboxylic acid, 2-methyl-3-phenyl-, methyl ester?
The molecular weight of 2-Cyclopropene-1-carboxylic acid, 2-methyl-3-phenyl-, methyl ester is 188.08 g/mol.
Where can I buy 2-Cyclopropene-1-carboxylic acid, 2-methyl-3-phenyl-, methyl ester?
You can request a quote for 2-Cyclopropene-1-carboxylic acid, 2-methyl-3-phenyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclopropene-1-carboxylic acid, 2-methyl-3-phenyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclopropene-1-carboxylic acid, 2-methyl-3-phenyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.