5-(1-aza-2-(4-butoxyphenyl)vinyl)-3-(4-chlorophenyl)-4-imino-2-oxo-1H-1,3-diazine-6-carbonitrile
TL;DR: 5-(1-aza-2-(4-butoxyphenyl)vinyl)-3-(4-chlorophenyl)-4-imino-2-oxo-1H-1,3-diazine-6-carbonitrile (CAS 1274948-09-2) is a chemical compound with molecular formula C22H20ClN5O2 and molecular weight 421.13055 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-amino-5-[(4-butoxyphenyl)methylideneamino]-1-(4-chlorophenyl)-2-oxopyrimidine-4-carbonitrile
Also Known As: 5-(1-aza-2-(4-butoxyphenyl)vinyl)-3-(4-chlorophenyl)-4-imino-2-oxo-1H-1,3-diazine-6-carbonitrile, 6-amino-5-[(4-butoxyphenyl)methylideneamino]-1-(4-chlorophenyl)-2-oxopyrimidine-4-carbonitrile, 5-[(E)-[(4-butoxyphenyl)methylidene]amino]-1-(4-chlorophenyl)-6-imino-2-oxo-1,2,3,6-tetrahydropyrimidine-4-carbonitrile, 6-amino-5-[(4-butoxyphenyl)methyleneamino]-1-(4-chlorophenyl)-2-oxo-pyrimidine-4-carbonitrile, 6-amino-5-[(4-butoxyphenyl)methylideneamino]-1-(4-chlorophenyl)-2-oxo-pyrimidine-4-carbonitrile
Technical Specifications
| Molecular Formula | C22H20ClN5O2 |
| Molecular Weight | 421.13055 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.13055 Da |
| Heavy Atoms | 30 |
| Complexity | 753.0 |
| SMILES | CCCCOC1=CC=C(C=C1)C=NC2=C(N(C(=O)N=C2C#N)C3=CC=C(C=C3)Cl)N |
| InChIKey | ABBDGOTZAOPLFG-UHFFFAOYSA-N |
Chemical Property Profile of 5-(1-aza-2-(4-butoxyphenyl)vinyl)-3-(4-chlorophenyl)-4-imino-2-oxo-1H-1,3-diazine-6-carbonitrile
Property Insights of 5-(1-aza-2-(4-butoxyphenyl)vinyl)-3-(4-chlorophenyl)-4-imino-2-oxo-1H-1,3-diazine-6-carbonitrile
The XLogP value of 4.1 indicates that 5-(1-aza-2-(4-butoxyphenyl)vinyl)-3-(4-chlorophenyl)-4-imino-2-oxo-1H-1,3-diazine-6-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1-aza-2-(4-butoxyphenyl)vinyl)-3-(4-chlorophenyl)-4-imino-2-oxo-1H-1,3-diazine-6-carbonitrile. Following Lipinski's Rule of Five, 5-(1-aza-2-(4-butoxyphenyl)vinyl)-3-(4-chlorophenyl)-4-imino-2-oxo-1H-1,3-diazine-6-carbonitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(1-aza-2-(4-butoxyphenyl)vinyl)-3-(4-chlorophenyl)-4-imino-2-oxo-1H-1,3-diazine-6-carbonitrile?
The CAS number of 5-(1-aza-2-(4-butoxyphenyl)vinyl)-3-(4-chlorophenyl)-4-imino-2-oxo-1H-1,3-diazine-6-carbonitrile is 1274948-09-2.
What is the molecular formula of 5-(1-aza-2-(4-butoxyphenyl)vinyl)-3-(4-chlorophenyl)-4-imino-2-oxo-1H-1,3-diazine-6-carbonitrile?
The molecular formula of 5-(1-aza-2-(4-butoxyphenyl)vinyl)-3-(4-chlorophenyl)-4-imino-2-oxo-1H-1,3-diazine-6-carbonitrile is C22H20ClN5O2.
What is the molecular weight of 5-(1-aza-2-(4-butoxyphenyl)vinyl)-3-(4-chlorophenyl)-4-imino-2-oxo-1H-1,3-diazine-6-carbonitrile?
The molecular weight of 5-(1-aza-2-(4-butoxyphenyl)vinyl)-3-(4-chlorophenyl)-4-imino-2-oxo-1H-1,3-diazine-6-carbonitrile is 421.13055 g/mol.
Where can I buy 5-(1-aza-2-(4-butoxyphenyl)vinyl)-3-(4-chlorophenyl)-4-imino-2-oxo-1H-1,3-diazine-6-carbonitrile?
You can request a quote for 5-(1-aza-2-(4-butoxyphenyl)vinyl)-3-(4-chlorophenyl)-4-imino-2-oxo-1H-1,3-diazine-6-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(1-aza-2-(4-butoxyphenyl)vinyl)-3-(4-chlorophenyl)-4-imino-2-oxo-1H-1,3-diazine-6-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 5-(1-aza-2-(4-butoxyphenyl)vinyl)-3-(4-chlorophenyl)-4-imino-2-oxo-1H-1,3-diazine-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.