3-Hydroxy-2-(4-morpholino-3-nitrobenzyl)propanenitrile
TL;DR: 3-Hydroxy-2-(4-morpholino-3-nitrobenzyl)propanenitrile (CAS 301823-01-8) is a chemical compound with molecular formula C14H17N3O4 and molecular weight 291.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-3-(4-morpholin-4-yl-3-nitrophenyl)propanenitrile
Also Known As: 3-hydroxy-2-(4-morpholino-3-nitrobenzyl)propanenitrile, 2-(hydroxymethyl)-3-(4-morpholin-4-yl-3-nitrophenyl)propanenitrile, 3-hydroxy-2-{[4-(morpholin-4-yl)-3-nitrophenyl]methyl}propanenitrile
| Molecular Formula | C14H17N3O4 |
|---|---|
| Molecular Weight | 291.12 g/mol |
| LogP | 1.10598 |
| Topological Polar Surface Area | 99.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.12192 |
| Heavy Atoms | 21 |
| Complexity | 549.6404 |
Chemical Identifiers
| CAS Number | 301823-01-8 |
|---|---|
| SMILES | C1COCCN1C2=C(C=C(C=C2)CC(CO)C#N)[N+](=O)[O-] |
Product Overview
3-Hydroxy-2-(4-morpholino-3-nitrobenzyl)propanenitrile (CAS 301823-01-8), with molecular formula C14H17N3O4 and molecular weight 291.12 g/mol. IUPAC: 2-(hydroxymethyl)-3-(4-morpholin-4-yl-3-nitrophenyl)propanenitrile.
Chemical Property Profile of 3-Hydroxy-2-(4-morpholino-3-nitrobenzyl)propanenitrile
Property Insights of 3-Hydroxy-2-(4-morpholino-3-nitrobenzyl)propanenitrile
The XLogP value of 1.10598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-2-(4-morpholino-3-nitrobenzyl)propanenitrile. The TPSA of 99.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-2-(4-morpholino-3-nitrobenzyl)propanenitrile. Following Lipinski's Rule of Five, 3-Hydroxy-2-(4-morpholino-3-nitrobenzyl)propanenitrile 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 3-Hydroxy-2-(4-morpholino-3-nitrobenzyl)propanenitrile?
The CAS number of 3-Hydroxy-2-(4-morpholino-3-nitrobenzyl)propanenitrile is 301823-01-8.
What is the molecular formula of 3-Hydroxy-2-(4-morpholino-3-nitrobenzyl)propanenitrile?
The molecular formula of 3-Hydroxy-2-(4-morpholino-3-nitrobenzyl)propanenitrile is C14H17N3O4.
What is the molecular weight of 3-Hydroxy-2-(4-morpholino-3-nitrobenzyl)propanenitrile?
The molecular weight of 3-Hydroxy-2-(4-morpholino-3-nitrobenzyl)propanenitrile is 291.12 g/mol.
Where can I buy 3-Hydroxy-2-(4-morpholino-3-nitrobenzyl)propanenitrile?
You can request a quote for 3-Hydroxy-2-(4-morpholino-3-nitrobenzyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-2-(4-morpholino-3-nitrobenzyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2-(4-morpholino-3-nitrobenzyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.