4-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)benzonitrile
TL;DR: 4-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)benzonitrile (CAS 866157-35-9) is a chemical compound with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)benzonitrile
Also Known As: 4-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)benzonitrile, 4-[(4,4-dimethyl-1,3-oxazolan-3-yl)carbonyl]benzenecarbonitrile, 4-(4,4-dimethyloxazolidine-3-carbonyl)benzonitrile
| Molecular Formula | C13H14N2O2 |
|---|---|
| Molecular Weight | 230.11 g/mol |
| LogP | 1.76678 |
| Topological Polar Surface Area | 53.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.10553 |
| Heavy Atoms | 17 |
| Complexity | 471.188 |
Chemical Identifiers
| CAS Number | 866157-35-9 |
|---|---|
| SMILES | CC1(COCN1C(=O)C2=CC=C(C=C2)C#N)C |
Product Overview
4-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)benzonitrile (CAS 866157-35-9), with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol. IUPAC: 4-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)benzonitrile.
Chemical Property Profile of 4-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)benzonitrile
Property Insights of 4-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)benzonitrile
The XLogP value of 1.76678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)benzonitrile. With a topological polar surface area (TPSA) of 53.33 Ų, 4-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)benzonitrile has 0 hydrogen bond donor(s) and 3 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 4-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)benzonitrile?
The CAS number of 4-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)benzonitrile is 866157-35-9.
What is the molecular formula of 4-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)benzonitrile?
The molecular formula of 4-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)benzonitrile is C13H14N2O2.
What is the molecular weight of 4-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)benzonitrile?
The molecular weight of 4-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)benzonitrile is 230.11 g/mol.
Where can I buy 4-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)benzonitrile?
You can request a quote for 4-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4,4-Dimethyl-1,3-oxazolidine-3-carbonyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.