3-(3-Iodo-4-methoxy-phenyl)-2-(morpholine-4-carbonyl)-acrylonitrile
TL;DR: 3-(3-Iodo-4-methoxy-phenyl)-2-(morpholine-4-carbonyl)-acrylonitrile (CAS 332057-72-4) is a chemical compound with molecular formula C15H15IN2O3 and molecular weight 398.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-iodo-4-methoxyphenyl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
Also Known As: BAS 00885291, AM-879/12211002, (E)-3-(3-iodo-4-methoxyphenyl)-2-(morpholine-4-carbonyl)prop-2-enenitrile, 3-(3-Iodo-4-methoxy-phenyl)-2-(morpholine-4-carbonyl)-acrylonitrile, 3-(3-iodo-4-methoxyphenyl)-2-(4-morpholinylcarbonyl)acrylonitrile
| Molecular Formula | C15H15IN2O3 |
|---|---|
| Molecular Weight | 398.01 g/mol |
| LogP | 2.06558 |
| Topological Polar Surface Area | 62.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.01273 |
| Heavy Atoms | 21 |
| Complexity | 601.4266 |
Chemical Identifiers
| CAS Number | 332057-72-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)N2CCOCC2)I |
Product Overview
3-(3-Iodo-4-methoxy-phenyl)-2-(morpholine-4-carbonyl)-acrylonitrile (CAS 332057-72-4), with molecular formula C15H15IN2O3 and molecular weight 398.01 g/mol. IUPAC: (E)-3-(3-iodo-4-methoxyphenyl)-2-(morpholine-4-carbonyl)prop-2-enenitrile.
Chemical Property Profile of 3-(3-Iodo-4-methoxy-phenyl)-2-(morpholine-4-carbonyl)-acrylonitrile
Property Insights of 3-(3-Iodo-4-methoxy-phenyl)-2-(morpholine-4-carbonyl)-acrylonitrile
The XLogP value of 2.06558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Iodo-4-methoxy-phenyl)-2-(morpholine-4-carbonyl)-acrylonitrile. The TPSA of 62.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Iodo-4-methoxy-phenyl)-2-(morpholine-4-carbonyl)-acrylonitrile. Following Lipinski's Rule of Five, 3-(3-Iodo-4-methoxy-phenyl)-2-(morpholine-4-carbonyl)-acrylonitrile has 0 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 3-(3-Iodo-4-methoxy-phenyl)-2-(morpholine-4-carbonyl)-acrylonitrile?
The CAS number of 3-(3-Iodo-4-methoxy-phenyl)-2-(morpholine-4-carbonyl)-acrylonitrile is 332057-72-4.
What is the molecular formula of 3-(3-Iodo-4-methoxy-phenyl)-2-(morpholine-4-carbonyl)-acrylonitrile?
The molecular formula of 3-(3-Iodo-4-methoxy-phenyl)-2-(morpholine-4-carbonyl)-acrylonitrile is C15H15IN2O3.
What is the molecular weight of 3-(3-Iodo-4-methoxy-phenyl)-2-(morpholine-4-carbonyl)-acrylonitrile?
The molecular weight of 3-(3-Iodo-4-methoxy-phenyl)-2-(morpholine-4-carbonyl)-acrylonitrile is 398.01 g/mol.
Where can I buy 3-(3-Iodo-4-methoxy-phenyl)-2-(morpholine-4-carbonyl)-acrylonitrile?
You can request a quote for 3-(3-Iodo-4-methoxy-phenyl)-2-(morpholine-4-carbonyl)-acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Iodo-4-methoxy-phenyl)-2-(morpholine-4-carbonyl)-acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Iodo-4-methoxy-phenyl)-2-(morpholine-4-carbonyl)-acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.