3,4,5-Trimethoxy-I+/--(4-morpholinylmethylene)benzenepropanenitrile
TL;DR: 3,4,5-Trimethoxy-I+/--(4-morpholinylmethylene)benzenepropanenitrile (CAS 30077-81-7) is a chemical compound with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-morpholin-4-yl-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile
Also Known As: 3-Morpholino-2-(3,4,5-trimethoxybenzyl)acrylonitrile, 3,4,5-Trimethoxy-I+/--(4-morpholinylmethylene)benzenepropanenitrile, Benzenepropanenitrile,3,4,5-trimethoxy-a-(4-morpholinylmethylene)-, 3-(MORPHOLIN-4-YL)-2-[(3,4,5-TRIMETHOXYPHENYL)METHYL]PROP-2-ENENITRILE
| Molecular Formula | C17H22N2O4 |
|---|---|
| Molecular Weight | 318.16 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.15796 |
| Heavy Atoms | 23 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 30077-81-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CC(=CN2CCOCC2)C#N |
| InChIKey | COJLXRBNOHYGDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5-Trimethoxy-I+/--(4-morpholinylmethylene)benzenepropanenitrile (CAS 30077-81-7), with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol. IUPAC: 3-morpholin-4-yl-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile.
Chemical Property Profile of 3,4,5-Trimethoxy-I+/--(4-morpholinylmethylene)benzenepropanenitrile
Property Insights of 3,4,5-Trimethoxy-I+/--(4-morpholinylmethylene)benzenepropanenitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-Trimethoxy-I+/--(4-morpholinylmethylene)benzenepropanenitrile. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-Trimethoxy-I+/--(4-morpholinylmethylene)benzenepropanenitrile. Following Lipinski's Rule of Five, 3,4,5-Trimethoxy-I+/--(4-morpholinylmethylene)benzenepropanenitrile has 0 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 3,4,5-Trimethoxy-I+/--(4-morpholinylmethylene)benzenepropanenitrile?
The CAS number of 3,4,5-Trimethoxy-I+/--(4-morpholinylmethylene)benzenepropanenitrile is 30077-81-7.
What is the molecular formula of 3,4,5-Trimethoxy-I+/--(4-morpholinylmethylene)benzenepropanenitrile?
The molecular formula of 3,4,5-Trimethoxy-I+/--(4-morpholinylmethylene)benzenepropanenitrile is C17H22N2O4.
What is the molecular weight of 3,4,5-Trimethoxy-I+/--(4-morpholinylmethylene)benzenepropanenitrile?
The molecular weight of 3,4,5-Trimethoxy-I+/--(4-morpholinylmethylene)benzenepropanenitrile is 318.16 g/mol.
Where can I buy 3,4,5-Trimethoxy-I+/--(4-morpholinylmethylene)benzenepropanenitrile?
You can request a quote for 3,4,5-Trimethoxy-I+/--(4-morpholinylmethylene)benzenepropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-Trimethoxy-I+/--(4-morpholinylmethylene)benzenepropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Trimethoxy-I+/--(4-morpholinylmethylene)benzenepropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.