4-Chloro-2-methyl-3-phenylcyclobut-2-enone
TL;DR: 4-Chloro-2-methyl-3-phenylcyclobut-2-enone (CAS 16547-35-6) is a chemical compound with molecular formula C11H9ClO and molecular weight 192.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-methyl-3-phenylcyclobut-2-en-1-one
Also Known As: 4-chloro-2-methyl-3-phenylcyclobut-2-en-1-one, 4-chloro-2-methyl-3-phenylcyclobut-2-enone, 2-Methyl-3-phenyl-4-chloro-2-cyclobuten-1-one, 4-Chloro-2-methyl-3-phenyl-2-cyclobuten-1-one, AN-967/25120039
| Molecular Formula | C11H9ClO |
|---|---|
| Molecular Weight | 192.03 g/mol |
| LogP | 2.6502 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.0342 |
| Heavy Atoms | 13 |
| Complexity | 378.33658 |
Chemical Identifiers
| CAS Number | 16547-35-6 |
|---|---|
| SMILES | CC1=C(C(C1=O)Cl)C2=CC=CC=C2 |
Product Overview
4-Chloro-2-methyl-3-phenylcyclobut-2-enone (CAS 16547-35-6), with molecular formula C11H9ClO and molecular weight 192.03 g/mol. IUPAC: 4-chloro-2-methyl-3-phenylcyclobut-2-en-1-one.
Chemical Property Profile of 4-Chloro-2-methyl-3-phenylcyclobut-2-enone
Property Insights of 4-Chloro-2-methyl-3-phenylcyclobut-2-enone
The XLogP value of 2.6502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-methyl-3-phenylcyclobut-2-enone. With a topological polar surface area (TPSA) of 17.07 Ų, 4-Chloro-2-methyl-3-phenylcyclobut-2-enone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-methyl-3-phenylcyclobut-2-enone 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 4-Chloro-2-methyl-3-phenylcyclobut-2-enone?
The CAS number of 4-Chloro-2-methyl-3-phenylcyclobut-2-enone is 16547-35-6.
What is the molecular formula of 4-Chloro-2-methyl-3-phenylcyclobut-2-enone?
The molecular formula of 4-Chloro-2-methyl-3-phenylcyclobut-2-enone is C11H9ClO.
What is the molecular weight of 4-Chloro-2-methyl-3-phenylcyclobut-2-enone?
The molecular weight of 4-Chloro-2-methyl-3-phenylcyclobut-2-enone is 192.03 g/mol.
Where can I buy 4-Chloro-2-methyl-3-phenylcyclobut-2-enone?
You can request a quote for 4-Chloro-2-methyl-3-phenylcyclobut-2-enone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-methyl-3-phenylcyclobut-2-enone?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-methyl-3-phenylcyclobut-2-enone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.