(S)-Methyl 1-cyanoazetidine-2-carboxylate
TL;DR: (S)-Methyl 1-cyanoazetidine-2-carboxylate (CAS 367906-72-7) is a chemical compound with molecular formula C6H8N2O2 and molecular weight 140.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-1-cyanoazetidine-2-carboxylate
Also Known As: (S)-Methyl 1-cyanoazetidine-2-carboxylate, Methyl (2S)-1-cyanoazetidine-2-carboxylate, 2-Azetidinecarboxylicacid,1-cyano-,methylester,(2S)-(9CI), 2-Azetidinecarboxylic acid, 1-cyano-, methyl ester, (2S)- (9CI)
| Molecular Formula | C6H8N2O2 |
|---|---|
| Molecular Weight | 140.06 g/mol |
| LogP | -0.28522 |
| Topological Polar Surface Area | 53.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.05858 |
| Heavy Atoms | 10 |
| Complexity | 184.67706 |
Chemical Identifiers
| CAS Number | 367906-72-7 |
|---|---|
| SMILES | COC(=O)[C@@H]1CCN1C#N |
Product Overview
(S)-Methyl 1-cyanoazetidine-2-carboxylate (CAS 367906-72-7), with molecular formula C6H8N2O2 and molecular weight 140.06 g/mol. IUPAC: methyl (2S)-1-cyanoazetidine-2-carboxylate.
Chemical Property Profile of (S)-Methyl 1-cyanoazetidine-2-carboxylate
Property Insights of (S)-Methyl 1-cyanoazetidine-2-carboxylate
The XLogP value of -0.28522 indicates that (S)-Methyl 1-cyanoazetidine-2-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.33 Ų, (S)-Methyl 1-cyanoazetidine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-Methyl 1-cyanoazetidine-2-carboxylate 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 (S)-Methyl 1-cyanoazetidine-2-carboxylate?
The CAS number of (S)-Methyl 1-cyanoazetidine-2-carboxylate is 367906-72-7.
What is the molecular formula of (S)-Methyl 1-cyanoazetidine-2-carboxylate?
The molecular formula of (S)-Methyl 1-cyanoazetidine-2-carboxylate is C6H8N2O2.
What is the molecular weight of (S)-Methyl 1-cyanoazetidine-2-carboxylate?
The molecular weight of (S)-Methyl 1-cyanoazetidine-2-carboxylate is 140.06 g/mol.
Where can I buy (S)-Methyl 1-cyanoazetidine-2-carboxylate?
You can request a quote for (S)-Methyl 1-cyanoazetidine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-Methyl 1-cyanoazetidine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (S)-Methyl 1-cyanoazetidine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.