2-Chloro-2-phenylpropanal
TL;DR: 2-Chloro-2-phenylpropanal (CAS 6124-66-9) is a chemical compound with molecular formula C9H9ClO and molecular weight 168.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-2-phenylpropanal
Also Known As: 2-chloro-2-phenylpropanal, 2-Phenyl-2-chloropropanal, 2-chloro-2-phenyl-propionaldehyde
| Molecular Formula | C9H9ClO |
|---|---|
| Molecular Weight | 168.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.0342 |
| Heavy Atoms | 11 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 6124-66-9 |
|---|---|
| SMILES | CC(C=O)(C1=CC=CC=C1)Cl |
| InChIKey | GUXSRVZDSMGGJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-2-phenylpropanal (CAS 6124-66-9), with molecular formula C9H9ClO and molecular weight 168.03 g/mol. IUPAC: 2-chloro-2-phenylpropanal.
Chemical Property Profile of 2-Chloro-2-phenylpropanal
Property Insights of 2-Chloro-2-phenylpropanal
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-2-phenylpropanal. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Chloro-2-phenylpropanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-2-phenylpropanal has 0 hydrogen bond donor(s) and 1 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-Chloro-2-phenylpropanal?
The CAS number of 2-Chloro-2-phenylpropanal is 6124-66-9.
What is the molecular formula of 2-Chloro-2-phenylpropanal?
The molecular formula of 2-Chloro-2-phenylpropanal is C9H9ClO.
What is the molecular weight of 2-Chloro-2-phenylpropanal?
The molecular weight of 2-Chloro-2-phenylpropanal is 168.03 g/mol.
Where can I buy 2-Chloro-2-phenylpropanal?
You can request a quote for 2-Chloro-2-phenylpropanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-2-phenylpropanal?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-2-phenylpropanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.