1-Aziridinecarboximidic acid, 2,3-dimethyl-, ethyl ester, cis-
TL;DR: 1-Aziridinecarboximidic acid, 2,3-dimethyl-, ethyl ester, cis- (CAS 85782-30-5) is a chemical compound with molecular formula C7H14N2O and molecular weight 142.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2R,3S)-2,3-dimethylaziridine-1-carboximidate
Also Known As: ethyl (2S,3R)-2,3-dimethylaziridine-1-carboximidate, Ethyl (2R,3S)-2,3-dimethylaziridine-1-carboximidate, 1-Aziridinecarboximidic acid, 2,3-dimethyl-, ethyl ester, cis-, 1-Aziridinecarboximidic acid,3-dimethyl-, ethyl ester, cis-
| Molecular Formula | C7H14N2O |
|---|---|
| Molecular Weight | 142.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 36.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 142.11061 |
| Heavy Atoms | 10 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 85782-30-5 |
|---|---|
| SMILES | CCOC(=N)N1[C@@H]([C@@H]1C)C |
| InChIKey | JNXACZAJIUKVNX-SFJPZXRQSA-N |
Product Overview
1-Aziridinecarboximidic acid, 2,3-dimethyl-, ethyl ester, cis- (CAS 85782-30-5), with molecular formula C7H14N2O and molecular weight 142.11 g/mol. IUPAC: ethyl (2R,3S)-2,3-dimethylaziridine-1-carboximidate.
Chemical Property Profile of 1-Aziridinecarboximidic acid, 2,3-dimethyl-, ethyl ester, cis-
Property Insights of 1-Aziridinecarboximidic acid, 2,3-dimethyl-, ethyl ester, cis-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Aziridinecarboximidic acid, 2,3-dimethyl-, ethyl ester, cis-. With a topological polar surface area (TPSA) of 36.1 Ų, 1-Aziridinecarboximidic acid, 2,3-dimethyl-, ethyl ester, cis- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Aziridinecarboximidic acid, 2,3-dimethyl-, ethyl ester, cis- has 1 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 1-Aziridinecarboximidic acid, 2,3-dimethyl-, ethyl ester, cis-?
The CAS number of 1-Aziridinecarboximidic acid, 2,3-dimethyl-, ethyl ester, cis- is 85782-30-5.
What is the molecular formula of 1-Aziridinecarboximidic acid, 2,3-dimethyl-, ethyl ester, cis-?
The molecular formula of 1-Aziridinecarboximidic acid, 2,3-dimethyl-, ethyl ester, cis- is C7H14N2O.
What is the molecular weight of 1-Aziridinecarboximidic acid, 2,3-dimethyl-, ethyl ester, cis-?
The molecular weight of 1-Aziridinecarboximidic acid, 2,3-dimethyl-, ethyl ester, cis- is 142.11 g/mol.
Where can I buy 1-Aziridinecarboximidic acid, 2,3-dimethyl-, ethyl ester, cis-?
You can request a quote for 1-Aziridinecarboximidic acid, 2,3-dimethyl-, ethyl ester, cis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Aziridinecarboximidic acid, 2,3-dimethyl-, ethyl ester, cis-?
Yes, KEHONG BIO provides custom synthesis services for 1-Aziridinecarboximidic acid, 2,3-dimethyl-, ethyl ester, cis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.