![(3-phenoxyphenyl)methyl 2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate structure](/static/products/1025/1025628-94-7.webp)
(3-phenoxyphenyl)methyl 2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate
TL;DR: (3-phenoxyphenyl)methyl 2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate (CAS 1025628-94-7) is a chemical compound with molecular formula C23H20N4O3 and molecular weight 400.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenoxyphenyl)methyl 2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate
Also Known As: (3-phenoxyphenyl)methyl 2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate, (3-phenoxyphenyl)methyl 3-((4,6-dimethylpyrimidin-2-yl)amino)-2-nitriloprop-2-enoate
| Molecular Formula | C23H20N4O3 |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | 4.44852 |
| Topological Polar Surface Area | 97.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.15353 |
| Heavy Atoms | 30 |
| Complexity | 1084.6812 |
Chemical Identifiers
| CAS Number | 1025628-94-7 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NC=C(C#N)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C |
Product Overview
(3-phenoxyphenyl)methyl 2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate (CAS 1025628-94-7), with molecular formula C23H20N4O3 and molecular weight 400.15 g/mol. IUPAC: (3-phenoxyphenyl)methyl 2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate.
Chemical Property Profile of (3-phenoxyphenyl)methyl 2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate
Property Insights of (3-phenoxyphenyl)methyl 2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate
The XLogP value of 4.44852 indicates that (3-phenoxyphenyl)methyl 2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.13 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-phenoxyphenyl)methyl 2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate. Following Lipinski's Rule of Five, (3-phenoxyphenyl)methyl 2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate has 1 hydrogen bond donor(s) and 7 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 (3-phenoxyphenyl)methyl 2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate?
The CAS number of (3-phenoxyphenyl)methyl 2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate is 1025628-94-7.
What is the molecular formula of (3-phenoxyphenyl)methyl 2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate?
The molecular formula of (3-phenoxyphenyl)methyl 2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate is C23H20N4O3.
What is the molecular weight of (3-phenoxyphenyl)methyl 2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate?
The molecular weight of (3-phenoxyphenyl)methyl 2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate is 400.15 g/mol.
Where can I buy (3-phenoxyphenyl)methyl 2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate?
You can request a quote for (3-phenoxyphenyl)methyl 2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-phenoxyphenyl)methyl 2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for (3-phenoxyphenyl)methyl 2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.