3-Chloro-2-methyl-2-cyclohexen-1-one
TL;DR: 3-Chloro-2-methyl-2-cyclohexen-1-one (CAS 35155-66-9) is a chemical compound with molecular formula C7H9ClO and molecular weight 144.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-methylcyclohex-2-en-1-one
Also Known As: 3-chloro-2-methylcyclohex-2-en-1-one, 2-Cyclohexen-1-one, 3-chloro-2-methyl-, 3-Chloro-2-methylcyclohex-2-enone, 3-chloro-2-methyl-cyclohex-2-en-1-one, 3-CHLORO-2-METHYL-2-CYCLOHEXEN-1-ONE
| Molecular Formula | C7H9ClO |
|---|---|
| Molecular Weight | 144.03 g/mol |
| LogP | 2.2522 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.0342 |
| Heavy Atoms | 9 |
| Complexity | 169.75496 |
Chemical Identifiers
| CAS Number | 35155-66-9 |
|---|---|
| SMILES | CC1=C(CCCC1=O)Cl |
Product Overview
3-Chloro-2-methyl-2-cyclohexen-1-one (CAS 35155-66-9), with molecular formula C7H9ClO and molecular weight 144.03 g/mol. IUPAC: 3-chloro-2-methylcyclohex-2-en-1-one.
Chemical Property Profile of 3-Chloro-2-methyl-2-cyclohexen-1-one
Property Insights of 3-Chloro-2-methyl-2-cyclohexen-1-one
The XLogP value of 2.2522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-2-methyl-2-cyclohexen-1-one. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Chloro-2-methyl-2-cyclohexen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-methyl-2-cyclohexen-1-one 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 3-Chloro-2-methyl-2-cyclohexen-1-one?
The CAS number of 3-Chloro-2-methyl-2-cyclohexen-1-one is 35155-66-9.
What is the molecular formula of 3-Chloro-2-methyl-2-cyclohexen-1-one?
The molecular formula of 3-Chloro-2-methyl-2-cyclohexen-1-one is C7H9ClO.
What is the molecular weight of 3-Chloro-2-methyl-2-cyclohexen-1-one?
The molecular weight of 3-Chloro-2-methyl-2-cyclohexen-1-one is 144.03 g/mol.
Where can I buy 3-Chloro-2-methyl-2-cyclohexen-1-one?
You can request a quote for 3-Chloro-2-methyl-2-cyclohexen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-2-methyl-2-cyclohexen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-methyl-2-cyclohexen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.