1-Propanone, 3-(((1,4-benzodioxan-2-yl)methyl)amino)-1-(1-pyrrolidinyl)-
TL;DR: 1-Propanone, 3-(((1,4-benzodioxan-2-yl)methyl)amino)-1-(1-pyrrolidinyl)- (CAS 102071-90-9) is a chemical compound with molecular formula C16H22N2O3 and molecular weight 290.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
Also Known As: 1662 I.S., 1662 I.S, 1662I.S., 4-20-00-00261 (Beilstein Handbook Reference), 3-(((1,4-Benzodioxan-2-yl)methyl)amino)-1-(1-pyrrolidinyl)-1-propanone
| Molecular Formula | C16H22N2O3 |
|---|---|
| Molecular Weight | 290.16 g/mol |
| LogP | 1.4285 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.16306 |
| Heavy Atoms | 21 |
| Complexity | 486.16537 |
Chemical Identifiers
| CAS Number | 102071-90-9 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CCNCC2COC3=CC=CC=C3O2 |
Product Overview
1-Propanone, 3-(((1,4-benzodioxan-2-yl)methyl)amino)-1-(1-pyrrolidinyl)- (CAS 102071-90-9), with molecular formula C16H22N2O3 and molecular weight 290.16 g/mol. IUPAC: 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one.
Chemical Property Profile of 1-Propanone, 3-(((1,4-benzodioxan-2-yl)methyl)amino)-1-(1-pyrrolidinyl)-
Property Insights of 1-Propanone, 3-(((1,4-benzodioxan-2-yl)methyl)amino)-1-(1-pyrrolidinyl)-
The XLogP value of 1.4285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanone, 3-(((1,4-benzodioxan-2-yl)methyl)amino)-1-(1-pyrrolidinyl)-. With a topological polar surface area (TPSA) of 50.8 Ų, 1-Propanone, 3-(((1,4-benzodioxan-2-yl)methyl)amino)-1-(1-pyrrolidinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propanone, 3-(((1,4-benzodioxan-2-yl)methyl)amino)-1-(1-pyrrolidinyl)- has 1 hydrogen bond donor(s) and 4 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-Propanone, 3-(((1,4-benzodioxan-2-yl)methyl)amino)-1-(1-pyrrolidinyl)-?
The CAS number of 1-Propanone, 3-(((1,4-benzodioxan-2-yl)methyl)amino)-1-(1-pyrrolidinyl)- is 102071-90-9.
What is the molecular formula of 1-Propanone, 3-(((1,4-benzodioxan-2-yl)methyl)amino)-1-(1-pyrrolidinyl)-?
The molecular formula of 1-Propanone, 3-(((1,4-benzodioxan-2-yl)methyl)amino)-1-(1-pyrrolidinyl)- is C16H22N2O3.
What is the molecular weight of 1-Propanone, 3-(((1,4-benzodioxan-2-yl)methyl)amino)-1-(1-pyrrolidinyl)-?
The molecular weight of 1-Propanone, 3-(((1,4-benzodioxan-2-yl)methyl)amino)-1-(1-pyrrolidinyl)- is 290.16 g/mol.
Where can I buy 1-Propanone, 3-(((1,4-benzodioxan-2-yl)methyl)amino)-1-(1-pyrrolidinyl)-?
You can request a quote for 1-Propanone, 3-(((1,4-benzodioxan-2-yl)methyl)amino)-1-(1-pyrrolidinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanone, 3-(((1,4-benzodioxan-2-yl)methyl)amino)-1-(1-pyrrolidinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanone, 3-(((1,4-benzodioxan-2-yl)methyl)amino)-1-(1-pyrrolidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.