Methyl 2-isocyanopropanoate
TL;DR: Methyl 2-isocyanopropanoate (CAS 33115-74-1) is a chemical compound with molecular formula C5H7NO2 and molecular weight 113.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-isocyanopropanoate
Also Known As: Methyl 2-isocyanopropanoate, 2-Isocyanopropionic acid methyl ester, methyl isocyanopropionate, methyl-2-isocyanopropionate, Methyl2-isocyanopropanoate
| Molecular Formula | C5H7NO2 |
|---|---|
| Molecular Weight | 113.05 g/mol |
| LogP | 0.46719 |
| Topological Polar Surface Area | 30.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 113.047676 |
| Heavy Atoms | 8 |
| Complexity | 124.880585 |
Chemical Identifiers
| CAS Number | 33115-74-1 |
|---|---|
| SMILES | CC(C(=O)OC)[N+]#[C-] |
Product Overview
Methyl 2-isocyanopropanoate (CAS 33115-74-1), with molecular formula C5H7NO2 and molecular weight 113.05 g/mol. IUPAC: methyl 2-isocyanopropanoate.
Chemical Property Profile of Methyl 2-isocyanopropanoate
Property Insights of Methyl 2-isocyanopropanoate
The XLogP value of 0.46719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-isocyanopropanoate. With a topological polar surface area (TPSA) of 30.66 Ų, Methyl 2-isocyanopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-isocyanopropanoate 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 Methyl 2-isocyanopropanoate?
The CAS number of Methyl 2-isocyanopropanoate is 33115-74-1.
What is the molecular formula of Methyl 2-isocyanopropanoate?
The molecular formula of Methyl 2-isocyanopropanoate is C5H7NO2.
What is the molecular weight of Methyl 2-isocyanopropanoate?
The molecular weight of Methyl 2-isocyanopropanoate is 113.05 g/mol.
Where can I buy Methyl 2-isocyanopropanoate?
You can request a quote for Methyl 2-isocyanopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-isocyanopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-isocyanopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.