Cyano(3-phenoxyphenyl)methyl 2,2-dimethylpropanoate
TL;DR: Cyano(3-phenoxyphenyl)methyl 2,2-dimethylpropanoate (CAS 98991-83-4) is a chemical compound with molecular formula C19H19NO3 and molecular weight 309.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano-(3-phenoxyphenyl)methyl] 2,2-dimethylpropanoate
Also Known As: Cyano(3-phenoxyphenyl)methyl 2,2-dimethylpropanoate, [cyano-(3-phenoxyphenyl)methyl] 2,2-dimethylpropanoate
| Molecular Formula | C19H19NO3 |
|---|---|
| Molecular Weight | 309.14 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.1365 |
| Heavy Atoms | 23 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 98991-83-4 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2 |
| InChIKey | IHHKVDBDRKSRME-UHFFFAOYSA-N |
Product Overview
Cyano(3-phenoxyphenyl)methyl 2,2-dimethylpropanoate (CAS 98991-83-4), with molecular formula C19H19NO3 and molecular weight 309.14 g/mol. IUPAC: [cyano-(3-phenoxyphenyl)methyl] 2,2-dimethylpropanoate.
Chemical Property Profile of Cyano(3-phenoxyphenyl)methyl 2,2-dimethylpropanoate
Property Insights of Cyano(3-phenoxyphenyl)methyl 2,2-dimethylpropanoate
The XLogP value of 5.0 indicates that Cyano(3-phenoxyphenyl)methyl 2,2-dimethylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, Cyano(3-phenoxyphenyl)methyl 2,2-dimethylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyano(3-phenoxyphenyl)methyl 2,2-dimethylpropanoate has 0 hydrogen bond donor(s) and 4 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 Cyano(3-phenoxyphenyl)methyl 2,2-dimethylpropanoate?
The CAS number of Cyano(3-phenoxyphenyl)methyl 2,2-dimethylpropanoate is 98991-83-4.
What is the molecular formula of Cyano(3-phenoxyphenyl)methyl 2,2-dimethylpropanoate?
The molecular formula of Cyano(3-phenoxyphenyl)methyl 2,2-dimethylpropanoate is C19H19NO3.
What is the molecular weight of Cyano(3-phenoxyphenyl)methyl 2,2-dimethylpropanoate?
The molecular weight of Cyano(3-phenoxyphenyl)methyl 2,2-dimethylpropanoate is 309.14 g/mol.
Where can I buy Cyano(3-phenoxyphenyl)methyl 2,2-dimethylpropanoate?
You can request a quote for Cyano(3-phenoxyphenyl)methyl 2,2-dimethylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyano(3-phenoxyphenyl)methyl 2,2-dimethylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Cyano(3-phenoxyphenyl)methyl 2,2-dimethylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.