6,8-Bis(hydroxymethyl)-7,7-dimethyl-1,6-dihydronaphthalen-2-one
TL;DR: 6,8-Bis(hydroxymethyl)-7,7-dimethyl-1,6-dihydronaphthalen-2-one (CAS 68433-81-8) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-bis(hydroxymethyl)-7,7-dimethyl-1,6-dihydronaphthalen-2-one
Also Known As: 1,3-Methanonaphthalen-7(1H)-one, 2,3,4,4a,5,6-hexahydro-2,2-dimethyl-, (1R,3S,4aR)-
| Molecular Formula | C14H18O3 |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.1256 |
| Heavy Atoms | 17 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 68433-81-8 |
|---|---|
| SMILES | CC1(C(C=C2C=CC(=O)CC2=C1CO)CO)C |
| InChIKey | HPDVYJMCHWCHPZ-UHFFFAOYSA-N |
Product Overview
6,8-Bis(hydroxymethyl)-7,7-dimethyl-1,6-dihydronaphthalen-2-one (CAS 68433-81-8), with molecular formula C14H18O3 and molecular weight 234.13 g/mol. IUPAC: 6,8-bis(hydroxymethyl)-7,7-dimethyl-1,6-dihydronaphthalen-2-one.
Chemical Property Profile of 6,8-Bis(hydroxymethyl)-7,7-dimethyl-1,6-dihydronaphthalen-2-one
Property Insights of 6,8-Bis(hydroxymethyl)-7,7-dimethyl-1,6-dihydronaphthalen-2-one
The XLogP value of -0.1 indicates that 6,8-Bis(hydroxymethyl)-7,7-dimethyl-1,6-dihydronaphthalen-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.5 Ų, 6,8-Bis(hydroxymethyl)-7,7-dimethyl-1,6-dihydronaphthalen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,8-Bis(hydroxymethyl)-7,7-dimethyl-1,6-dihydronaphthalen-2-one has 2 hydrogen bond donor(s) and 3 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 6,8-Bis(hydroxymethyl)-7,7-dimethyl-1,6-dihydronaphthalen-2-one?
The CAS number of 6,8-Bis(hydroxymethyl)-7,7-dimethyl-1,6-dihydronaphthalen-2-one is 68433-81-8.
What is the molecular formula of 6,8-Bis(hydroxymethyl)-7,7-dimethyl-1,6-dihydronaphthalen-2-one?
The molecular formula of 6,8-Bis(hydroxymethyl)-7,7-dimethyl-1,6-dihydronaphthalen-2-one is C14H18O3.
What is the molecular weight of 6,8-Bis(hydroxymethyl)-7,7-dimethyl-1,6-dihydronaphthalen-2-one?
The molecular weight of 6,8-Bis(hydroxymethyl)-7,7-dimethyl-1,6-dihydronaphthalen-2-one is 234.13 g/mol.
Where can I buy 6,8-Bis(hydroxymethyl)-7,7-dimethyl-1,6-dihydronaphthalen-2-one?
You can request a quote for 6,8-Bis(hydroxymethyl)-7,7-dimethyl-1,6-dihydronaphthalen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,8-Bis(hydroxymethyl)-7,7-dimethyl-1,6-dihydronaphthalen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6,8-Bis(hydroxymethyl)-7,7-dimethyl-1,6-dihydronaphthalen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.