tert-Butyl 2-isocyanopropionate
TL;DR: tert-Butyl 2-isocyanopropionate (CAS 34074-64-1) is a chemical compound with molecular formula C8H13NO2 and molecular weight 155.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-isocyanopropanoate
Also Known As: tert-Butyl 2-isocyanopropionate, Tert-butyl 2-isocyanopropanoate, Tert-butyl isocyanopropionate, DL-Alanine tert-butyl ester isocyanide, 2-Isocyanopropionic acid tert-butyl ester
| Molecular Formula | C8H13NO2 |
|---|---|
| Molecular Weight | 155.09 g/mol |
| LogP | 1.63589 |
| Topological Polar Surface Area | 30.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.09464 |
| Heavy Atoms | 11 |
| Complexity | 185.24919 |
Chemical Identifiers
| CAS Number | 34074-64-1 |
|---|---|
| SMILES | CC(C(=O)OC(C)(C)C)[N+]#[C-] |
Product Overview
tert-Butyl 2-isocyanopropionate (CAS 34074-64-1), with molecular formula C8H13NO2 and molecular weight 155.09 g/mol. IUPAC: tert-butyl 2-isocyanopropanoate.
Chemical Property Profile of tert-Butyl 2-isocyanopropionate
Property Insights of tert-Butyl 2-isocyanopropionate
The XLogP value of 1.63589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 2-isocyanopropionate. With a topological polar surface area (TPSA) of 30.66 Ų, tert-Butyl 2-isocyanopropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 2-isocyanopropionate 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-isocyanopropionate?
The CAS number of tert-Butyl 2-isocyanopropionate is 34074-64-1.
What is the molecular formula of tert-Butyl 2-isocyanopropionate?
The molecular formula of tert-Butyl 2-isocyanopropionate is C8H13NO2.
What is the molecular weight of tert-Butyl 2-isocyanopropionate?
The molecular weight of tert-Butyl 2-isocyanopropionate is 155.09 g/mol.
Where can I buy tert-Butyl 2-isocyanopropionate?
You can request a quote for tert-Butyl 2-isocyanopropionate 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-isocyanopropionate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 2-isocyanopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.