Methyl 2-isocyanato-3-phenylpropanoate
TL;DR: Methyl 2-isocyanato-3-phenylpropanoate (CAS 56753-76-5) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-isocyanato-3-phenylpropanoate
Also Known As: methyl 2-isocyanato-3-phenylpropanoate, Methyl 2-isocyanato-3-phenyl-propanoate, methyl N-(oxomethylene)phenylalaninate, Methyl-2-isocyanato-3-phenylpropionate, (S)-2-Isocyanato-3-phenylpropionic Acid Methyl Ester
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 1.1065 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.0739 |
| Heavy Atoms | 15 |
| Complexity | 368.67923 |
Chemical Identifiers
| CAS Number | 56753-76-5 |
|---|---|
| SMILES | COC(=O)C(CC1=CC=CC=C1)N=C=O |
Product Overview
Methyl 2-isocyanato-3-phenylpropanoate (CAS 56753-76-5), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: methyl 2-isocyanato-3-phenylpropanoate.
Chemical Property Profile of Methyl 2-isocyanato-3-phenylpropanoate
Property Insights of Methyl 2-isocyanato-3-phenylpropanoate
The XLogP value of 1.1065 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-isocyanato-3-phenylpropanoate. With a topological polar surface area (TPSA) of 55.73 Ų, Methyl 2-isocyanato-3-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-isocyanato-3-phenylpropanoate 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 Methyl 2-isocyanato-3-phenylpropanoate?
The CAS number of Methyl 2-isocyanato-3-phenylpropanoate is 56753-76-5.
What is the molecular formula of Methyl 2-isocyanato-3-phenylpropanoate?
The molecular formula of Methyl 2-isocyanato-3-phenylpropanoate is C11H11NO3.
What is the molecular weight of Methyl 2-isocyanato-3-phenylpropanoate?
The molecular weight of Methyl 2-isocyanato-3-phenylpropanoate is 205.07 g/mol.
Where can I buy Methyl 2-isocyanato-3-phenylpropanoate?
You can request a quote for Methyl 2-isocyanato-3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-isocyanato-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-isocyanato-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.