1-Aziridinepropionic acid, 3,3,5-trimethylcyclohexyl ester
TL;DR: 1-Aziridinepropionic acid, 3,3,5-trimethylcyclohexyl ester (CAS 99901-06-1) is a chemical compound with molecular formula C14H25NO2 and molecular weight 239.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,3,5-trimethylcyclohexyl) 3-(aziridin-1-yl)propanoate
Also Known As: 1-Aziridinepropanoic acid, 3,3,5-trimethylcyclohexyl ester, 1-AZIRIDINEPROPIONIC ACID, 3,3,5-TRIMETHYLCYCLOHEXYL ESTER, 1-Aziridinepropionic acid, 3,5,5-trimethylcyclohexyl ester, 3,3,5-trimethylcyclohexyl 3-(aziridin-1-yl)propanoate, Propionic acid, 3-(1-aziridinyl)-, 3,3,5-trimethylcyclohexyl ester
| Molecular Formula | C14H25NO2 |
|---|---|
| Molecular Weight | 239.19 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 29.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.18852 |
| Heavy Atoms | 17 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 99901-06-1 |
|---|---|
| SMILES | CC1CC(CC(C1)(C)C)OC(=O)CCN2CC2 |
| InChIKey | FIZYQWPPYSBTPE-UHFFFAOYSA-N |
Product Overview
1-Aziridinepropionic acid, 3,3,5-trimethylcyclohexyl ester (CAS 99901-06-1), with molecular formula C14H25NO2 and molecular weight 239.19 g/mol. IUPAC: (3,3,5-trimethylcyclohexyl) 3-(aziridin-1-yl)propanoate.
Chemical Property Profile of 1-Aziridinepropionic acid, 3,3,5-trimethylcyclohexyl ester
Property Insights of 1-Aziridinepropionic acid, 3,3,5-trimethylcyclohexyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Aziridinepropionic acid, 3,3,5-trimethylcyclohexyl ester. With a topological polar surface area (TPSA) of 29.3 Ų, 1-Aziridinepropionic acid, 3,3,5-trimethylcyclohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Aziridinepropionic acid, 3,3,5-trimethylcyclohexyl 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, 3,3,5-trimethylcyclohexyl ester?
The CAS number of 1-Aziridinepropionic acid, 3,3,5-trimethylcyclohexyl ester is 99901-06-1.
What is the molecular formula of 1-Aziridinepropionic acid, 3,3,5-trimethylcyclohexyl ester?
The molecular formula of 1-Aziridinepropionic acid, 3,3,5-trimethylcyclohexyl ester is C14H25NO2.
What is the molecular weight of 1-Aziridinepropionic acid, 3,3,5-trimethylcyclohexyl ester?
The molecular weight of 1-Aziridinepropionic acid, 3,3,5-trimethylcyclohexyl ester is 239.19 g/mol.
Where can I buy 1-Aziridinepropionic acid, 3,3,5-trimethylcyclohexyl ester?
You can request a quote for 1-Aziridinepropionic acid, 3,3,5-trimethylcyclohexyl 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, 3,3,5-trimethylcyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Aziridinepropionic acid, 3,3,5-trimethylcyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.