1,4-Benzodioxan-2-methanol, alpha-(((3-hydroxypropyl)amino)methyl)-
TL;DR: 1,4-Benzodioxan-2-methanol, alpha-(((3-hydroxypropyl)amino)methyl)- (CAS 13627-76-4) is a chemical compound with molecular formula C13H19NO4 and molecular weight 253.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]propan-1-ol
Also Known As: 2689 I.S., 2689 I.S, 2689I.S., alpha-(((3-Hydroxypropyl)amino)methyl)-1,4-benzodioxan-2-methanol, 1,4-BENZODIOXAN-2-METHANOL, alpha-(((3-HYDROXYPROPYL)AMINO)METHYL)-
| Molecular Formula | C13H19NO4 |
|---|---|
| Molecular Weight | 253.13 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.13141 |
| Heavy Atoms | 18 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 13627-76-4 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2O1)C(CNCCCO)O |
| InChIKey | ZCADBAFJROJWGG-UHFFFAOYSA-N |
Product Overview
1,4-Benzodioxan-2-methanol, alpha-(((3-hydroxypropyl)amino)methyl)- (CAS 13627-76-4), with molecular formula C13H19NO4 and molecular weight 253.13 g/mol. IUPAC: 3-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]propan-1-ol.
Chemical Property Profile of 1,4-Benzodioxan-2-methanol, alpha-(((3-hydroxypropyl)amino)methyl)-
Property Insights of 1,4-Benzodioxan-2-methanol, alpha-(((3-hydroxypropyl)amino)methyl)-
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzodioxan-2-methanol, alpha-(((3-hydroxypropyl)amino)methyl)-. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Benzodioxan-2-methanol, alpha-(((3-hydroxypropyl)amino)methyl)-. Following Lipinski's Rule of Five, 1,4-Benzodioxan-2-methanol, alpha-(((3-hydroxypropyl)amino)methyl)- has 3 hydrogen bond donor(s) and 5 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 1,4-Benzodioxan-2-methanol, alpha-(((3-hydroxypropyl)amino)methyl)-?
The CAS number of 1,4-Benzodioxan-2-methanol, alpha-(((3-hydroxypropyl)amino)methyl)- is 13627-76-4.
What is the molecular formula of 1,4-Benzodioxan-2-methanol, alpha-(((3-hydroxypropyl)amino)methyl)-?
The molecular formula of 1,4-Benzodioxan-2-methanol, alpha-(((3-hydroxypropyl)amino)methyl)- is C13H19NO4.
What is the molecular weight of 1,4-Benzodioxan-2-methanol, alpha-(((3-hydroxypropyl)amino)methyl)-?
The molecular weight of 1,4-Benzodioxan-2-methanol, alpha-(((3-hydroxypropyl)amino)methyl)- is 253.13 g/mol.
Where can I buy 1,4-Benzodioxan-2-methanol, alpha-(((3-hydroxypropyl)amino)methyl)-?
You can request a quote for 1,4-Benzodioxan-2-methanol, alpha-(((3-hydroxypropyl)amino)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzodioxan-2-methanol, alpha-(((3-hydroxypropyl)amino)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzodioxan-2-methanol, alpha-(((3-hydroxypropyl)amino)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.