1-Naphthalenol, decahydro-2-(1,3-benzodioxol-5-ylmethylene)-
TL;DR: 1-Naphthalenol, decahydro-2-(1,3-benzodioxol-5-ylmethylene)- (CAS 69920-54-3) is a chemical compound with molecular formula C18H22O3 and molecular weight 286.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-1-ol
Also Known As: Decahydro-2-(1,3-benzodioxol-5-ylmethylene)-1-naphthalenol, 1-Naphthalenol, decahydro-2-(1,3-benzodioxol-5-ylmethylene)-, (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-1-ol, RefChem:1055997
| Molecular Formula | C18H22O3 |
|---|---|
| Molecular Weight | 286.16 g/mol |
| LogP | 3.7598 |
| Topological Polar Surface Area | 38.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.1569 |
| Heavy Atoms | 21 |
| Complexity | 563.5819 |
Chemical Identifiers
| CAS Number | 69920-54-3 |
|---|---|
| SMILES | C1CCC2C(C1)CC/C(=C\C3=CC4=C(C=C3)OCO4)/C2O |
Product Overview
1-Naphthalenol, decahydro-2-(1,3-benzodioxol-5-ylmethylene)- (CAS 69920-54-3), with molecular formula C18H22O3 and molecular weight 286.16 g/mol. IUPAC: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-1-ol.
Chemical Property Profile of 1-Naphthalenol, decahydro-2-(1,3-benzodioxol-5-ylmethylene)-
Property Insights of 1-Naphthalenol, decahydro-2-(1,3-benzodioxol-5-ylmethylene)-
The XLogP value of 3.7598 indicates that 1-Naphthalenol, decahydro-2-(1,3-benzodioxol-5-ylmethylene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.69 Ų, 1-Naphthalenol, decahydro-2-(1,3-benzodioxol-5-ylmethylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthalenol, decahydro-2-(1,3-benzodioxol-5-ylmethylene)- has 1 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 1-Naphthalenol, decahydro-2-(1,3-benzodioxol-5-ylmethylene)-?
The CAS number of 1-Naphthalenol, decahydro-2-(1,3-benzodioxol-5-ylmethylene)- is 69920-54-3.
What is the molecular formula of 1-Naphthalenol, decahydro-2-(1,3-benzodioxol-5-ylmethylene)-?
The molecular formula of 1-Naphthalenol, decahydro-2-(1,3-benzodioxol-5-ylmethylene)- is C18H22O3.
What is the molecular weight of 1-Naphthalenol, decahydro-2-(1,3-benzodioxol-5-ylmethylene)-?
The molecular weight of 1-Naphthalenol, decahydro-2-(1,3-benzodioxol-5-ylmethylene)- is 286.16 g/mol.
Where can I buy 1-Naphthalenol, decahydro-2-(1,3-benzodioxol-5-ylmethylene)-?
You can request a quote for 1-Naphthalenol, decahydro-2-(1,3-benzodioxol-5-ylmethylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Naphthalenol, decahydro-2-(1,3-benzodioxol-5-ylmethylene)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthalenol, decahydro-2-(1,3-benzodioxol-5-ylmethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.