![6-imino-2-oxo-5-{[(E)-(3-phenoxyphenyl)methylidene]amino}-1-phenyl-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile structure](/static/products/1048/1048915-68-9.webp)
6-imino-2-oxo-5-{[(E)-(3-phenoxyphenyl)methylidene]amino}-1-phenyl-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile
TL;DR: 6-imino-2-oxo-5-{[(E)-(3-phenoxyphenyl)methylidene]amino}-1-phenyl-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile (CAS 1048915-68-9) is a chemical compound with molecular formula C24H17N5O2 and molecular weight 407.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-2-oxo-5-[(3-phenoxyphenyl)methylideneamino]-1-phenylpyrimidine-4-carbonitrile
Also Known As: 6-imino-2-oxo-5-{[(E)-(3-phenoxyphenyl)methylidene]amino}-1-phenyl-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile, 6-amino-2-oxo-5-[(3-phenoxyphenyl)methylideneamino]-1-phenylpyrimidine-4-carbonitrile, 6-imino-2-oxo-5-[(E)-[(3-phenoxyphenyl)methylidene]amino]-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-carbonitrile, 5-(1-Aza-2-(3-phenoxyphenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile, 6-amino-2-oxo-5-[(3-phenoxyphenyl)methyleneamino]-1-phenyl-pyrimidine-4-carbonitrile
| Molecular Formula | C24H17N5O2 |
|---|---|
| Molecular Weight | 407.14 g/mol |
| LogP | 4.22928 |
| Topological Polar Surface Area | 106.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.1382 |
| Heavy Atoms | 31 |
| Complexity | 1340.2512 |
Chemical Identifiers
| CAS Number | 1048915-68-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=C(C(=NC2=O)C#N)N=CC3=CC(=CC=C3)OC4=CC=CC=C4)N |
Product Overview
6-imino-2-oxo-5-{[(E)-(3-phenoxyphenyl)methylidene]amino}-1-phenyl-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile (CAS 1048915-68-9), with molecular formula C24H17N5O2 and molecular weight 407.14 g/mol. IUPAC: 6-amino-2-oxo-5-[(3-phenoxyphenyl)methylideneamino]-1-phenylpyrimidine-4-carbonitrile.
Chemical Property Profile of 6-imino-2-oxo-5-{[(E)-(3-phenoxyphenyl)methylidene]amino}-1-phenyl-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile
Property Insights of 6-imino-2-oxo-5-{[(E)-(3-phenoxyphenyl)methylidene]amino}-1-phenyl-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile
The XLogP value of 4.22928 indicates that 6-imino-2-oxo-5-{[(E)-(3-phenoxyphenyl)methylidene]amino}-1-phenyl-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-imino-2-oxo-5-{[(E)-(3-phenoxyphenyl)methylidene]amino}-1-phenyl-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile. Following Lipinski's Rule of Five, 6-imino-2-oxo-5-{[(E)-(3-phenoxyphenyl)methylidene]amino}-1-phenyl-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile 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 6-imino-2-oxo-5-{[(E)-(3-phenoxyphenyl)methylidene]amino}-1-phenyl-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile?
The CAS number of 6-imino-2-oxo-5-{[(E)-(3-phenoxyphenyl)methylidene]amino}-1-phenyl-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile is 1048915-68-9.
What is the molecular formula of 6-imino-2-oxo-5-{[(E)-(3-phenoxyphenyl)methylidene]amino}-1-phenyl-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile?
The molecular formula of 6-imino-2-oxo-5-{[(E)-(3-phenoxyphenyl)methylidene]amino}-1-phenyl-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile is C24H17N5O2.
What is the molecular weight of 6-imino-2-oxo-5-{[(E)-(3-phenoxyphenyl)methylidene]amino}-1-phenyl-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile?
The molecular weight of 6-imino-2-oxo-5-{[(E)-(3-phenoxyphenyl)methylidene]amino}-1-phenyl-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile is 407.14 g/mol.
Where can I buy 6-imino-2-oxo-5-{[(E)-(3-phenoxyphenyl)methylidene]amino}-1-phenyl-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile?
You can request a quote for 6-imino-2-oxo-5-{[(E)-(3-phenoxyphenyl)methylidene]amino}-1-phenyl-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-imino-2-oxo-5-{[(E)-(3-phenoxyphenyl)methylidene]amino}-1-phenyl-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-imino-2-oxo-5-{[(E)-(3-phenoxyphenyl)methylidene]amino}-1-phenyl-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.