Hydroxymethylenecamphor
TL;DR: Hydroxymethylenecamphor (CAS 72036-65-8) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(hydroxymethylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Also Known As: hydroxymethylenecamphor, 3-(hydroxymethylene)camphor, (2Z)-2-(hydroxymethylidene)-4,7,7-trimethylbicyclo[2.2.1]hep, 2-(hydroxymethylidene)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one, 3-(hydroxymethylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 72036-65-8 |
|---|---|
| SMILES | CC1(C2CCC1(C(=O)C2=CO)C)C |
| InChIKey | DFCLRLMPUDXMII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hydroxymethylenecamphor (CAS 72036-65-8), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: 3-(hydroxymethylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one.
Chemical Property Profile of Hydroxymethylenecamphor
Property Insights of Hydroxymethylenecamphor
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydroxymethylenecamphor. With a topological polar surface area (TPSA) of 37.3 Ų, Hydroxymethylenecamphor exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydroxymethylenecamphor 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 Hydroxymethylenecamphor?
The CAS number of Hydroxymethylenecamphor is 72036-65-8.
What is the molecular formula of Hydroxymethylenecamphor?
The molecular formula of Hydroxymethylenecamphor is C11H16O2.
What is the molecular weight of Hydroxymethylenecamphor?
The molecular weight of Hydroxymethylenecamphor is 180.12 g/mol.
Where can I buy Hydroxymethylenecamphor?
You can request a quote for Hydroxymethylenecamphor directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxymethylenecamphor?
Yes, KEHONG BIO provides custom synthesis services for Hydroxymethylenecamphor and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.