Dimethyl 2-(aziridin-1-ylmethyl)butanedioate
TL;DR: Dimethyl 2-(aziridin-1-ylmethyl)butanedioate (CAS 86555-35-3) is a chemical compound with molecular formula C9H15NO4 and molecular weight 201.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(aziridin-1-ylmethyl)butanedioate
Also Known As: Malantide, dimethyl 2-(aziridin-1-ylmethyl)butanedioate, Dimethyl 2-[(aziridin-1-yl)methyl]butanedioate
| Molecular Formula | C9H15NO4 |
|---|---|
| Molecular Weight | 201.10 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 201.10011 |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 86555-35-3 |
|---|---|
| SMILES | COC(=O)CC(CN1CC1)C(=O)OC |
| InChIKey | KVIRNGMCHPFREZ-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-(aziridin-1-ylmethyl)butanedioate (CAS 86555-35-3), with molecular formula C9H15NO4 and molecular weight 201.10 g/mol. IUPAC: dimethyl 2-(aziridin-1-ylmethyl)butanedioate.
Chemical Property Profile of Dimethyl 2-(aziridin-1-ylmethyl)butanedioate
Property Insights of Dimethyl 2-(aziridin-1-ylmethyl)butanedioate
The XLogP value of -0.3 indicates that Dimethyl 2-(aziridin-1-ylmethyl)butanedioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.6 Ų, Dimethyl 2-(aziridin-1-ylmethyl)butanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2-(aziridin-1-ylmethyl)butanedioate has 0 hydrogen bond donor(s) and 5 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 Dimethyl 2-(aziridin-1-ylmethyl)butanedioate?
The CAS number of Dimethyl 2-(aziridin-1-ylmethyl)butanedioate is 86555-35-3.
What is the molecular formula of Dimethyl 2-(aziridin-1-ylmethyl)butanedioate?
The molecular formula of Dimethyl 2-(aziridin-1-ylmethyl)butanedioate is C9H15NO4.
What is the molecular weight of Dimethyl 2-(aziridin-1-ylmethyl)butanedioate?
The molecular weight of Dimethyl 2-(aziridin-1-ylmethyl)butanedioate is 201.10 g/mol.
Where can I buy Dimethyl 2-(aziridin-1-ylmethyl)butanedioate?
You can request a quote for Dimethyl 2-(aziridin-1-ylmethyl)butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(aziridin-1-ylmethyl)butanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(aziridin-1-ylmethyl)butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.