trans-3,4-Dimethylcyclopentanone
TL;DR: trans-3,4-Dimethylcyclopentanone (CAS 19550-72-2) is a chemical compound with molecular formula C7H12O and molecular weight 112.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethylcyclopentan-1-one
Also Known As: 3,4-Dimethylcyclopentanone, 3,4-dimethylcyclopentan-1-one, trans-3,4-Dimethylcyclopentanone, 3-Chloro-10H-phenothiazine, Cyclopentanone, 3,4-dimethyl-
| Molecular Formula | C7H12O |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.08881 |
| Heavy Atoms | 8 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 19550-72-2 |
|---|---|
| SMILES | CC1CC(=O)CC1C |
| InChIKey | ZMGMYCHEWPVBEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
trans-3,4-Dimethylcyclopentanone (CAS 19550-72-2), with molecular formula C7H12O and molecular weight 112.09 g/mol. IUPAC: 3,4-dimethylcyclopentan-1-one.
Chemical Property Profile of trans-3,4-Dimethylcyclopentanone
Property Insights of trans-3,4-Dimethylcyclopentanone
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-3,4-Dimethylcyclopentanone. With a topological polar surface area (TPSA) of 17.1 Ų, trans-3,4-Dimethylcyclopentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-3,4-Dimethylcyclopentanone 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 trans-3,4-Dimethylcyclopentanone?
The CAS number of trans-3,4-Dimethylcyclopentanone is 19550-72-2.
What is the molecular formula of trans-3,4-Dimethylcyclopentanone?
The molecular formula of trans-3,4-Dimethylcyclopentanone is C7H12O.
What is the molecular weight of trans-3,4-Dimethylcyclopentanone?
The molecular weight of trans-3,4-Dimethylcyclopentanone is 112.09 g/mol.
Where can I buy trans-3,4-Dimethylcyclopentanone?
You can request a quote for trans-3,4-Dimethylcyclopentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-3,4-Dimethylcyclopentanone?
Yes, KEHONG BIO provides custom synthesis services for trans-3,4-Dimethylcyclopentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.