2-(Hydroxymethylene)cycloheptanone
TL;DR: 2-(Hydroxymethylene)cycloheptanone (CAS 934-20-3) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethylidene)cycloheptan-1-one
Also Known As: 2-(hydroxymethylene)cycloheptanone, 2-(hydroxymethylidene)cycloheptanone, 2-(hydroxymethylene)cycloheptan-1-one, 2-(hydroxymethylidene)cycloheptan-1-one, 2-hydroxycyclohept-1-ene-1-carbaldehyde
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 934-20-3 |
|---|---|
| SMILES | C1CCC(=CO)C(=O)CC1 |
| InChIKey | NEKQNBBSVZDVFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Hydroxymethylene)cycloheptanone (CAS 934-20-3), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: 2-(hydroxymethylidene)cycloheptan-1-one.
Chemical Property Profile of 2-(Hydroxymethylene)cycloheptanone
Property Insights of 2-(Hydroxymethylene)cycloheptanone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Hydroxymethylene)cycloheptanone. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(Hydroxymethylene)cycloheptanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Hydroxymethylene)cycloheptanone has 1 hydrogen bond donor(s) and 2 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-(Hydroxymethylene)cycloheptanone?
The CAS number of 2-(Hydroxymethylene)cycloheptanone is 934-20-3.
What is the molecular formula of 2-(Hydroxymethylene)cycloheptanone?
The molecular formula of 2-(Hydroxymethylene)cycloheptanone is C8H12O2.
What is the molecular weight of 2-(Hydroxymethylene)cycloheptanone?
The molecular weight of 2-(Hydroxymethylene)cycloheptanone is 140.08 g/mol.
Where can I buy 2-(Hydroxymethylene)cycloheptanone?
You can request a quote for 2-(Hydroxymethylene)cycloheptanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Hydroxymethylene)cycloheptanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(Hydroxymethylene)cycloheptanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.