methyl (2S)-2-isocyanatopropanoate
TL;DR: methyl (2S)-2-isocyanatopropanoate (CAS 30293-81-3) is a chemical compound with molecular formula C5H7NO3 and molecular weight 129.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-isocyanatopropanoate
Also Known As: methyl (2S)-2-isocyanatopropanoate, Methyl (S)-(-)-2-Isocyanatopropionate, methyl N-(oxomethylene)alaninate, (S)-(-)-2-Isocyanatopropionic Acid Methyl Ester, alanine methyl ester isocyanate
| Molecular Formula | C5H7NO3 |
|---|---|
| Molecular Weight | 129.04 g/mol |
| LogP | -0.1163 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 129.04259 |
| Heavy Atoms | 9 |
| Complexity | 148.2821 |
Chemical Identifiers
| CAS Number | 30293-81-3 |
|---|---|
| SMILES | C[C@@H](C(=O)OC)N=C=O |
Product Overview
methyl (2S)-2-isocyanatopropanoate (CAS 30293-81-3), with molecular formula C5H7NO3 and molecular weight 129.04 g/mol. IUPAC: methyl (2S)-2-isocyanatopropanoate.
Chemical Property Profile of methyl (2S)-2-isocyanatopropanoate
Property Insights of methyl (2S)-2-isocyanatopropanoate
The XLogP value of -0.1163 indicates that methyl (2S)-2-isocyanatopropanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.73 Ų, methyl (2S)-2-isocyanatopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2S)-2-isocyanatopropanoate 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 (2S)-2-isocyanatopropanoate?
The CAS number of methyl (2S)-2-isocyanatopropanoate is 30293-81-3.
What is the molecular formula of methyl (2S)-2-isocyanatopropanoate?
The molecular formula of methyl (2S)-2-isocyanatopropanoate is C5H7NO3.
What is the molecular weight of methyl (2S)-2-isocyanatopropanoate?
The molecular weight of methyl (2S)-2-isocyanatopropanoate is 129.04 g/mol.
Where can I buy methyl (2S)-2-isocyanatopropanoate?
You can request a quote for methyl (2S)-2-isocyanatopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2S)-2-isocyanatopropanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2S)-2-isocyanatopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.