4-(4-chloroanilino)-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile
TL;DR: 4-(4-chloroanilino)-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile (CAS 303997-23-1) is a chemical compound with molecular formula C13H11ClN4O2 and molecular weight 290.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloroanilino)-2-(dimethylamino)-6-oxo-1,3-oxazine-5-carbonitrile
Also Known As: 4-(4-chloroanilino)-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile, 4-(4-chloroanilino)-2-(dimethylamino)-6-oxo-1,3-oxazine-5-carbonitrile, 4-[(4-chlorophenyl)amino]-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile, 4-[(4-chlorophenyl)amino]-2-(dimethylamino)-6-oxo-1,3-oxazine-5-carbonitrile
| Molecular Formula | C13H11ClN4O2 |
|---|---|
| Molecular Weight | 290.06 g/mol |
| LogP | 2.36948 |
| Topological Polar Surface Area | 82.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.05707 |
| Heavy Atoms | 20 |
| Complexity | 716.63153 |
Chemical Identifiers
| CAS Number | 303997-23-1 |
|---|---|
| SMILES | CN(C)C1=NC(=C(C(=O)O1)C#N)NC2=CC=C(C=C2)Cl |
Product Overview
4-(4-chloroanilino)-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile (CAS 303997-23-1), with molecular formula C13H11ClN4O2 and molecular weight 290.06 g/mol. IUPAC: 4-(4-chloroanilino)-2-(dimethylamino)-6-oxo-1,3-oxazine-5-carbonitrile.
Chemical Property Profile of 4-(4-chloroanilino)-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile
Property Insights of 4-(4-chloroanilino)-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile
The XLogP value of 2.36948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-chloroanilino)-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile. The TPSA of 82.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-chloroanilino)-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile. Following Lipinski's Rule of Five, 4-(4-chloroanilino)-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile 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 4-(4-chloroanilino)-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile?
The CAS number of 4-(4-chloroanilino)-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile is 303997-23-1.
What is the molecular formula of 4-(4-chloroanilino)-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile?
The molecular formula of 4-(4-chloroanilino)-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile is C13H11ClN4O2.
What is the molecular weight of 4-(4-chloroanilino)-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile?
The molecular weight of 4-(4-chloroanilino)-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile is 290.06 g/mol.
Where can I buy 4-(4-chloroanilino)-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile?
You can request a quote for 4-(4-chloroanilino)-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-chloroanilino)-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-chloroanilino)-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.