![5-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-carbonitrile structure](/static/products/1159/1159976-68-7.webp)
5-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-carbonitrile
TL;DR: 5-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-carbonitrile (CAS 1159976-68-7) is a chemical compound with molecular formula C18H11ClFN5O and molecular weight 367.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-[(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-1-phenylpyrimidine-4-carbonitrile
Also Known As: 5-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-carbonitrile, 5-{[(E)-(2-chloro-6-fluorophenyl)methylidene]amino}-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile, 6-amino-5-[(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-1-phenylpyrimidine-4-carbonitrile, 5-{(E)-(2-Chloro-6-fluorophenyl)methylideneamino}-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile, 6-amino-5-[(2-chloro-6-fluoro-phenyl)methylideneamino]-2-oxo-1-phenyl-pyrimidine-4-carbonitrile
| Molecular Formula | C18H11ClFN5O |
|---|---|
| Molecular Weight | 367.06 g/mol |
| LogP | 3.22948 |
| Topological Polar Surface Area | 97.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.06363 |
| Heavy Atoms | 26 |
| Complexity | 1082.7948 |
Chemical Identifiers
| CAS Number | 1159976-68-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=C(C(=NC2=O)C#N)N=CC3=C(C=CC=C3Cl)F)N |
Product Overview
5-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-carbonitrile (CAS 1159976-68-7), with molecular formula C18H11ClFN5O and molecular weight 367.06 g/mol. IUPAC: 6-amino-5-[(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-1-phenylpyrimidine-4-carbonitrile.
Chemical Property Profile of 5-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-carbonitrile
Property Insights of 5-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-carbonitrile
The XLogP value of 3.22948 indicates that 5-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-carbonitrile. Following Lipinski's Rule of Five, 5-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-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
Frequently Asked Questions
What is the CAS number of 5-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-carbonitrile?
The CAS number of 5-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-carbonitrile is 1159976-68-7.
What is the molecular formula of 5-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-carbonitrile?
The molecular formula of 5-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-carbonitrile is C18H11ClFN5O.
What is the molecular weight of 5-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-carbonitrile?
The molecular weight of 5-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-carbonitrile is 367.06 g/mol.
Where can I buy 5-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-carbonitrile?
You can request a quote for 5-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.