1-benzyl 2-methyl (2S)-aziridine-1,2-dicarboxylate
TL;DR: 1-benzyl 2-methyl (2S)-aziridine-1,2-dicarboxylate (CAS 104597-98-0) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-benzyl 2-O-methyl (2S)-aziridine-1,2-dicarboxylate
Also Known As: (S)-1-Benzyl 2-methyl aziridine-1,2-dicarboxylate, Methyl (S)-(-)-N-Z-aziridine-2-carboxylate, L-Azetidine-2-carboxylicacid, 7-Aminoheptanoicacidhydrochloride, 1-benzyl 2-methyl (2S)-aziridine-1,2-dicarboxylate
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 104597-98-0 |
|---|---|
| SMILES | COC(=O)[C@@H]1CN1C(=O)OCC2=CC=CC=C2 |
| InChIKey | GTZJUBQWCWZING-NKUHCKNESA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-benzyl 2-methyl (2S)-aziridine-1,2-dicarboxylate (CAS 104597-98-0), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: 1-O-benzyl 2-O-methyl (2S)-aziridine-1,2-dicarboxylate.
Chemical Property Profile of 1-benzyl 2-methyl (2S)-aziridine-1,2-dicarboxylate
Property Insights of 1-benzyl 2-methyl (2S)-aziridine-1,2-dicarboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl 2-methyl (2S)-aziridine-1,2-dicarboxylate. With a topological polar surface area (TPSA) of 55.6 Ų, 1-benzyl 2-methyl (2S)-aziridine-1,2-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl 2-methyl (2S)-aziridine-1,2-dicarboxylate 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 1-benzyl 2-methyl (2S)-aziridine-1,2-dicarboxylate?
The CAS number of 1-benzyl 2-methyl (2S)-aziridine-1,2-dicarboxylate is 104597-98-0.
What is the molecular formula of 1-benzyl 2-methyl (2S)-aziridine-1,2-dicarboxylate?
The molecular formula of 1-benzyl 2-methyl (2S)-aziridine-1,2-dicarboxylate is C12H13NO4.
What is the molecular weight of 1-benzyl 2-methyl (2S)-aziridine-1,2-dicarboxylate?
The molecular weight of 1-benzyl 2-methyl (2S)-aziridine-1,2-dicarboxylate is 235.08 g/mol.
Where can I buy 1-benzyl 2-methyl (2S)-aziridine-1,2-dicarboxylate?
You can request a quote for 1-benzyl 2-methyl (2S)-aziridine-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl 2-methyl (2S)-aziridine-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl 2-methyl (2S)-aziridine-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.