氰基(3-苯氧基苯基)甲基N-叔丁基氨基甲酸酯
TL;DR: 氰基(3-苯氧基苯基)甲基N-叔丁基氨基甲酸酯 (CAS 98991-85-6) is a chemical compound with molecular formula C19H20N2O3 and molecular weight 324.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氰基(3-苯氧基苯基)甲基N-叔丁基氨基甲酸酯
[cyano-(3-phenoxyphenyl)methyl] N-tert-butylcarbamate
Also Known As: Cyano(3-phenoxyphenyl)methyl N-tert-butylcarbamate, [cyano-(3-phenoxyphenyl)methyl] N-tert-butylcarbamate, Cyano(3-phenoxyphenyl)methyl hydrogen tert-butylcarbonimidate
| Molecular Formula | C19H20N2O3 |
|---|---|
| Molecular Weight | 324.15 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.1474 |
| Heavy Atoms | 24 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 98991-85-6 |
|---|---|
| SMILES | CC(C)(C)NC(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2 |
| InChIKey | PJYLGYIUFCPBFO-UHFFFAOYSA-N |
Product Overview
氰基(3-苯氧基苯基)甲基N-叔丁基氨基甲酸酯 (CAS 98991-85-6), with molecular formula C19H20N2O3 and molecular weight 324.15 g/mol. IUPAC: [cyano-(3-phenoxyphenyl)methyl] N-tert-butylcarbamate.
Chemical Property Profile of 氰基(3-苯氧基苯基)甲基N-叔丁基氨基甲酸酯
Property Insights of 氰基(3-苯氧基苯基)甲基N-叔丁基氨基甲酸酯
The XLogP value of 4.4 indicates that 氰基(3-苯氧基苯基)甲基N-叔丁基氨基甲酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 氰基(3-苯氧基苯基)甲基N-叔丁基氨基甲酸酯. Following Lipinski's Rule of Five, 氰基(3-苯氧基苯基)甲基N-叔丁基氨基甲酸酯 has 1 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 氰基(3-苯氧基苯基)甲基N-叔丁基氨基甲酸酯?
The CAS number of 氰基(3-苯氧基苯基)甲基N-叔丁基氨基甲酸酯 is 98991-85-6.
What is the molecular formula of 氰基(3-苯氧基苯基)甲基N-叔丁基氨基甲酸酯?
The molecular formula of 氰基(3-苯氧基苯基)甲基N-叔丁基氨基甲酸酯 is C19H20N2O3.
What is the molecular weight of 氰基(3-苯氧基苯基)甲基N-叔丁基氨基甲酸酯?
The molecular weight of 氰基(3-苯氧基苯基)甲基N-叔丁基氨基甲酸酯 is 324.15 g/mol.
Where can I buy 氰基(3-苯氧基苯基)甲基N-叔丁基氨基甲酸酯?
You can request a quote for 氰基(3-苯氧基苯基)甲基N-叔丁基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氰基(3-苯氧基苯基)甲基N-叔丁基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 氰基(3-苯氧基苯基)甲基N-叔丁基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.