1-Aziridinepropionic acid, 2,2-dimethylpropyl ester
TL;DR: 1-Aziridinepropionic acid, 2,2-dimethylpropyl ester (CAS 99900-98-8) is a chemical compound with molecular formula C10H19NO2 and molecular weight 185.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropyl 3-(aziridin-1-yl)propanoate
Also Known As: 2,2-dimethylpropyl 3-(aziridin-1-yl)propanoate, 1-AZIRIDINEPROPIONIC ACID, 2,2-DIMETHYLPROPYL ESTER, 1-Aziridinepropanoic acid, 2,2-dimethylpropyl ester, 1-Aziridinepropionic acid neopentyl ester, Propionic acid, 3-(1-aziridinyl)-, neopentyl ester
| Molecular Formula | C10H19NO2 |
|---|---|
| Molecular Weight | 185.14 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 29.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 185.14159 |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 99900-98-8 |
|---|---|
| SMILES | CC(C)(C)COC(=O)CCN1CC1 |
| InChIKey | CJRVGTHPLJTBNE-UHFFFAOYSA-N |
Product Overview
1-Aziridinepropionic acid, 2,2-dimethylpropyl ester (CAS 99900-98-8), with molecular formula C10H19NO2 and molecular weight 185.14 g/mol. IUPAC: 2,2-dimethylpropyl 3-(aziridin-1-yl)propanoate.
Chemical Property Profile of 1-Aziridinepropionic acid, 2,2-dimethylpropyl ester
Property Insights of 1-Aziridinepropionic acid, 2,2-dimethylpropyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Aziridinepropionic acid, 2,2-dimethylpropyl ester. With a topological polar surface area (TPSA) of 29.3 Ų, 1-Aziridinepropionic acid, 2,2-dimethylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Aziridinepropionic acid, 2,2-dimethylpropyl ester has 0 hydrogen bond donor(s) and 3 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, 2,2-dimethylpropyl ester?
The CAS number of 1-Aziridinepropionic acid, 2,2-dimethylpropyl ester is 99900-98-8.
What is the molecular formula of 1-Aziridinepropionic acid, 2,2-dimethylpropyl ester?
The molecular formula of 1-Aziridinepropionic acid, 2,2-dimethylpropyl ester is C10H19NO2.
What is the molecular weight of 1-Aziridinepropionic acid, 2,2-dimethylpropyl ester?
The molecular weight of 1-Aziridinepropionic acid, 2,2-dimethylpropyl ester is 185.14 g/mol.
Where can I buy 1-Aziridinepropionic acid, 2,2-dimethylpropyl ester?
You can request a quote for 1-Aziridinepropionic acid, 2,2-dimethylpropyl 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, 2,2-dimethylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Aziridinepropionic acid, 2,2-dimethylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.