2-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile
TL;DR: 2-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile (CAS 866041-97-6) is a chemical compound with molecular formula C16H18N2O3 and molecular weight 286.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile
Also Known As: 2-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile, (E)-2-[(4,4-dimethyl-1,3-oxazolan-3-yl)carbonyl]-3-(4-methoxyphenyl)-2-propenenitrile
| Molecular Formula | C16H18N2O3 |
|---|---|
| Molecular Weight | 286.13 g/mol |
| LogP | 2.19708 |
| Topological Polar Surface Area | 62.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.13174 |
| Heavy Atoms | 21 |
| Complexity | 596.94324 |
Chemical Identifiers
| CAS Number | 866041-97-6 |
|---|---|
| SMILES | CC1(COCN1C(=O)C(=CC2=CC=C(C=C2)OC)C#N)C |
Product Overview
2-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile (CAS 866041-97-6), with molecular formula C16H18N2O3 and molecular weight 286.13 g/mol. IUPAC: 2-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of 2-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile
Property Insights of 2-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile
The XLogP value of 2.19708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile. The TPSA of 62.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile 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 2-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile?
The CAS number of 2-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile is 866041-97-6.
What is the molecular formula of 2-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile?
The molecular formula of 2-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile is C16H18N2O3.
What is the molecular weight of 2-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile?
The molecular weight of 2-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile is 286.13 g/mol.
Where can I buy 2-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile?
You can request a quote for 2-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.