tert-Butyl 2-isocyano-3-phenylpropionate
TL;DR: tert-Butyl 2-isocyano-3-phenylpropionate (CAS 32755-44-5) is a chemical compound with molecular formula C14H17NO2 and molecular weight 231.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-isocyano-3-phenylpropanoate
Also Known As: tert-Butyl 2-isocyano-3-phenylpropionate, tert-butyl 2-isocyano-3-phenylpropanoate, Tert-butyl 2-isocyano-3-phenyl-propanoate, TERT-BUTYL2-ISOCYANO-3-PHENYLPROPIONATE, DL-Phenylalanine tert-butyl ester isocyanide
| Molecular Formula | C14H17NO2 |
|---|---|
| Molecular Weight | 231.13 g/mol |
| LogP | 2.85869 |
| Topological Polar Surface Area | 30.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.12593 |
| Heavy Atoms | 17 |
| Complexity | 412.08862 |
Chemical Identifiers
| CAS Number | 32755-44-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(CC1=CC=CC=C1)[N+]#[C-] |
Product Overview
tert-Butyl 2-isocyano-3-phenylpropionate (CAS 32755-44-5), with molecular formula C14H17NO2 and molecular weight 231.13 g/mol. IUPAC: tert-butyl 2-isocyano-3-phenylpropanoate.
Chemical Property Profile of tert-Butyl 2-isocyano-3-phenylpropionate
Property Insights of tert-Butyl 2-isocyano-3-phenylpropionate
The XLogP value of 2.85869 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 2-isocyano-3-phenylpropionate. With a topological polar surface area (TPSA) of 30.66 Ų, tert-Butyl 2-isocyano-3-phenylpropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 2-isocyano-3-phenylpropionate has 0 hydrogen bond donor(s) and 2 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 tert-Butyl 2-isocyano-3-phenylpropionate?
The CAS number of tert-Butyl 2-isocyano-3-phenylpropionate is 32755-44-5.
What is the molecular formula of tert-Butyl 2-isocyano-3-phenylpropionate?
The molecular formula of tert-Butyl 2-isocyano-3-phenylpropionate is C14H17NO2.
What is the molecular weight of tert-Butyl 2-isocyano-3-phenylpropionate?
The molecular weight of tert-Butyl 2-isocyano-3-phenylpropionate is 231.13 g/mol.
Where can I buy tert-Butyl 2-isocyano-3-phenylpropionate?
You can request a quote for tert-Butyl 2-isocyano-3-phenylpropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 2-isocyano-3-phenylpropionate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 2-isocyano-3-phenylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.