1,1-Bis(2H-1,3-benzodioxol-5-yl)-3-(diethylamino)-2-methylpropan-1-ol
TL;DR: 1,1-Bis(2H-1,3-benzodioxol-5-yl)-3-(diethylamino)-2-methylpropan-1-ol (CAS 5466-41-1) is a chemical compound with molecular formula C22H27NO5 and molecular weight 385.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-bis(1,3-benzodioxol-5-yl)-3-(diethylamino)-2-methylpropan-1-ol
Also Known As: benzooxazol-2-ylsulfanyl-methyl thiocyanate, 1,1-bis(1,3-benzodioxol-5-yl)-3-(diethylamino)-2-methylpropan-1-ol, 5-19-12-00227 (Beilstein Handbook Reference), 1,1-(Bis(3,4-(methylenedioxy)phenyl))-3-(diethylamino)-2-methyl-1-propanol, 1,1-Bis(2H-1,3-benzodioxol-5-yl)-3-(diethylamino)-2-methylpropan-1-ol
| Molecular Formula | C22H27NO5 |
|---|---|
| Molecular Weight | 385.19 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 385.18893 |
| Heavy Atoms | 28 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 5466-41-1 |
|---|---|
| SMILES | CCN(CC)CC(C)C(C1=CC2=C(C=C1)OCO2)(C3=CC4=C(C=C3)OCO4)O |
| InChIKey | IDDKYGBAGCBUSM-UHFFFAOYSA-N |
Product Overview
1,1-Bis(2H-1,3-benzodioxol-5-yl)-3-(diethylamino)-2-methylpropan-1-ol (CAS 5466-41-1), with molecular formula C22H27NO5 and molecular weight 385.19 g/mol. IUPAC: 1,1-bis(1,3-benzodioxol-5-yl)-3-(diethylamino)-2-methylpropan-1-ol.
Chemical Property Profile of 1,1-Bis(2H-1,3-benzodioxol-5-yl)-3-(diethylamino)-2-methylpropan-1-ol
Property Insights of 1,1-Bis(2H-1,3-benzodioxol-5-yl)-3-(diethylamino)-2-methylpropan-1-ol
The XLogP value of 3.7 indicates that 1,1-Bis(2H-1,3-benzodioxol-5-yl)-3-(diethylamino)-2-methylpropan-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Bis(2H-1,3-benzodioxol-5-yl)-3-(diethylamino)-2-methylpropan-1-ol. Following Lipinski's Rule of Five, 1,1-Bis(2H-1,3-benzodioxol-5-yl)-3-(diethylamino)-2-methylpropan-1-ol has 1 hydrogen bond donor(s) and 6 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 1,1-Bis(2H-1,3-benzodioxol-5-yl)-3-(diethylamino)-2-methylpropan-1-ol?
The CAS number of 1,1-Bis(2H-1,3-benzodioxol-5-yl)-3-(diethylamino)-2-methylpropan-1-ol is 5466-41-1.
What is the molecular formula of 1,1-Bis(2H-1,3-benzodioxol-5-yl)-3-(diethylamino)-2-methylpropan-1-ol?
The molecular formula of 1,1-Bis(2H-1,3-benzodioxol-5-yl)-3-(diethylamino)-2-methylpropan-1-ol is C22H27NO5.
What is the molecular weight of 1,1-Bis(2H-1,3-benzodioxol-5-yl)-3-(diethylamino)-2-methylpropan-1-ol?
The molecular weight of 1,1-Bis(2H-1,3-benzodioxol-5-yl)-3-(diethylamino)-2-methylpropan-1-ol is 385.19 g/mol.
Where can I buy 1,1-Bis(2H-1,3-benzodioxol-5-yl)-3-(diethylamino)-2-methylpropan-1-ol?
You can request a quote for 1,1-Bis(2H-1,3-benzodioxol-5-yl)-3-(diethylamino)-2-methylpropan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Bis(2H-1,3-benzodioxol-5-yl)-3-(diethylamino)-2-methylpropan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Bis(2H-1,3-benzodioxol-5-yl)-3-(diethylamino)-2-methylpropan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.