1-Aziridinepropionic acid, 2-nitrobutyl ester
TL;DR: 1-Aziridinepropionic acid, 2-nitrobutyl ester (CAS 99901-03-8) is a chemical compound with molecular formula C9H16N2O4 and molecular weight 216.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitrobutyl 3-(aziridin-1-yl)propanoate
Also Known As: 2-nitrobutyl 3-(aziridin-1-yl)propanoate, 1-Aziridinepropanoic acid, 2-nitrobutyl ester, 1-AZIRIDINEPROPIONIC ACID, 2-NITROBUTYL ESTER, 1-Aziridinepropionic acid 2-nitrobutyl ester, Propionic acid, 3-(1-aziridinyl)-, 2-nitrobutyl ester
| Molecular Formula | C9H16N2O4 |
|---|---|
| Molecular Weight | 216.11 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 75.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 216.11101 |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 99901-03-8 |
|---|---|
| SMILES | CCC(COC(=O)CCN1CC1)[N+](=O)[O-] |
| InChIKey | DNTVUWGGCUFURX-UHFFFAOYSA-N |
Product Overview
1-Aziridinepropionic acid, 2-nitrobutyl ester (CAS 99901-03-8), with molecular formula C9H16N2O4 and molecular weight 216.11 g/mol. IUPAC: 2-nitrobutyl 3-(aziridin-1-yl)propanoate.
Chemical Property Profile of 1-Aziridinepropionic acid, 2-nitrobutyl ester
Property Insights of 1-Aziridinepropionic acid, 2-nitrobutyl ester
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Aziridinepropionic acid, 2-nitrobutyl ester. The TPSA of 75.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Aziridinepropionic acid, 2-nitrobutyl ester. Following Lipinski's Rule of Five, 1-Aziridinepropionic acid, 2-nitrobutyl ester 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 1-Aziridinepropionic acid, 2-nitrobutyl ester?
The CAS number of 1-Aziridinepropionic acid, 2-nitrobutyl ester is 99901-03-8.
What is the molecular formula of 1-Aziridinepropionic acid, 2-nitrobutyl ester?
The molecular formula of 1-Aziridinepropionic acid, 2-nitrobutyl ester is C9H16N2O4.
What is the molecular weight of 1-Aziridinepropionic acid, 2-nitrobutyl ester?
The molecular weight of 1-Aziridinepropionic acid, 2-nitrobutyl ester is 216.11 g/mol.
Where can I buy 1-Aziridinepropionic acid, 2-nitrobutyl ester?
You can request a quote for 1-Aziridinepropionic acid, 2-nitrobutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Aziridinepropionic acid, 2-nitrobutyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Aziridinepropionic acid, 2-nitrobutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.