2-Cyano-2-methyl-1-phenylpropyl 4-chlorobenzoate
TL;DR: 2-Cyano-2-methyl-1-phenylpropyl 4-chlorobenzoate (CAS 372088-27-2) is a chemical compound with molecular formula C18H16ClNO2 and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-cyano-2-methyl-1-phenylpropyl) 4-chlorobenzoate
Also Known As: 2-cyano-2-methyl-1-phenylpropyl 4-chlorobenzoate, (2-cyano-2-methyl-1-phenylpropyl) 4-chlorobenzoate
| Molecular Formula | C18H16ClNO2 |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 4.78788 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.08694 |
| Heavy Atoms | 22 |
| Complexity | 687.27716 |
Chemical Identifiers
| CAS Number | 372088-27-2 |
|---|---|
| SMILES | CC(C)(C#N)C(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)Cl |
Product Overview
2-Cyano-2-methyl-1-phenylpropyl 4-chlorobenzoate (CAS 372088-27-2), with molecular formula C18H16ClNO2 and molecular weight 313.09 g/mol. IUPAC: (2-cyano-2-methyl-1-phenylpropyl) 4-chlorobenzoate.
Chemical Property Profile of 2-Cyano-2-methyl-1-phenylpropyl 4-chlorobenzoate
Property Insights of 2-Cyano-2-methyl-1-phenylpropyl 4-chlorobenzoate
The XLogP value of 4.78788 indicates that 2-Cyano-2-methyl-1-phenylpropyl 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, 2-Cyano-2-methyl-1-phenylpropyl 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyano-2-methyl-1-phenylpropyl 4-chlorobenzoate has 0 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-Cyano-2-methyl-1-phenylpropyl 4-chlorobenzoate?
The CAS number of 2-Cyano-2-methyl-1-phenylpropyl 4-chlorobenzoate is 372088-27-2.
What is the molecular formula of 2-Cyano-2-methyl-1-phenylpropyl 4-chlorobenzoate?
The molecular formula of 2-Cyano-2-methyl-1-phenylpropyl 4-chlorobenzoate is C18H16ClNO2.
What is the molecular weight of 2-Cyano-2-methyl-1-phenylpropyl 4-chlorobenzoate?
The molecular weight of 2-Cyano-2-methyl-1-phenylpropyl 4-chlorobenzoate is 313.09 g/mol.
Where can I buy 2-Cyano-2-methyl-1-phenylpropyl 4-chlorobenzoate?
You can request a quote for 2-Cyano-2-methyl-1-phenylpropyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-2-methyl-1-phenylpropyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-2-methyl-1-phenylpropyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.