2-Cyclohexen-1-one, 2(or 4)-chloro-3,5,5-trimethyl-
TL;DR: 2-Cyclohexen-1-one, 2(or 4)-chloro-3,5,5-trimethyl- (CAS 72175-27-0) is a chemical compound with molecular formula C9H13ClO and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R)-6-chloro-3,5,5-trimethylcyclohex-2-en-1-one
Also Known As: 2-Cyclohexen-1-one, 2(or 4)-chloro-3,5,5-trimethyl-, (6R)-6-chloro-3,5,5-trimethylcyclohex-2-en-1-one, RefChem:470846
| Molecular Formula | C9H13ClO |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 2.5391 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.06549 |
| Heavy Atoms | 11 |
| Complexity | 215.60262 |
Chemical Identifiers
| CAS Number | 72175-27-0 |
|---|---|
| SMILES | CC1=CC(=O)[C@@H](C(C1)(C)C)Cl |
Product Overview
2-Cyclohexen-1-one, 2(or 4)-chloro-3,5,5-trimethyl- (CAS 72175-27-0), with molecular formula C9H13ClO and molecular weight 172.07 g/mol. IUPAC: (6R)-6-chloro-3,5,5-trimethylcyclohex-2-en-1-one.
Chemical Property Profile of 2-Cyclohexen-1-one, 2(or 4)-chloro-3,5,5-trimethyl-
Property Insights of 2-Cyclohexen-1-one, 2(or 4)-chloro-3,5,5-trimethyl-
The XLogP value of 2.5391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclohexen-1-one, 2(or 4)-chloro-3,5,5-trimethyl-. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Cyclohexen-1-one, 2(or 4)-chloro-3,5,5-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexen-1-one, 2(or 4)-chloro-3,5,5-trimethyl- 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-Cyclohexen-1-one, 2(or 4)-chloro-3,5,5-trimethyl-?
The CAS number of 2-Cyclohexen-1-one, 2(or 4)-chloro-3,5,5-trimethyl- is 72175-27-0.
What is the molecular formula of 2-Cyclohexen-1-one, 2(or 4)-chloro-3,5,5-trimethyl-?
The molecular formula of 2-Cyclohexen-1-one, 2(or 4)-chloro-3,5,5-trimethyl- is C9H13ClO.
What is the molecular weight of 2-Cyclohexen-1-one, 2(or 4)-chloro-3,5,5-trimethyl-?
The molecular weight of 2-Cyclohexen-1-one, 2(or 4)-chloro-3,5,5-trimethyl- is 172.07 g/mol.
Where can I buy 2-Cyclohexen-1-one, 2(or 4)-chloro-3,5,5-trimethyl-?
You can request a quote for 2-Cyclohexen-1-one, 2(or 4)-chloro-3,5,5-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclohexen-1-one, 2(or 4)-chloro-3,5,5-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexen-1-one, 2(or 4)-chloro-3,5,5-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.