Cyclopropaneglycolic acid, alpha-benzyl-, 2-(diethylamino)ethyl ester
TL;DR: Cyclopropaneglycolic acid, alpha-benzyl-, 2-(diethylamino)ethyl ester (CAS 102571-14-2) is a chemical compound with molecular formula C18H27NO3 and molecular weight 305.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-cyclopropyl-2-hydroxy-3-phenylpropanoate
Also Known As: 2-(Diethylamino)ethyl benzylcyclopropylglycolate, alpha-Benzylcyclopropaneglycolic acid 2-(diethylamino)ethyl ester, 2-(diethylamino)ethyl 2-cyclopropyl-2-hydroxy-3-phenylpropanoate, CYCLOPROPANEGLYCOLIC ACID, alpha-BENZYL-, 2-(DIETHYLAMINO)ETHYL ESTER, 2-diethylaminoethyl 2-cyclopropyl-2-hydroxy-3-phenylpropanoate
| Molecular Formula | C18H27NO3 |
|---|---|
| Molecular Weight | 305.20 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 305.1991 |
| Heavy Atoms | 22 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 102571-14-2 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C(CC1=CC=CC=C1)(C2CC2)O |
| InChIKey | PQTAVXNCLQMLJA-UHFFFAOYSA-N |
Product Overview
Cyclopropaneglycolic acid, alpha-benzyl-, 2-(diethylamino)ethyl ester (CAS 102571-14-2), with molecular formula C18H27NO3 and molecular weight 305.20 g/mol. IUPAC: 2-(diethylamino)ethyl 2-cyclopropyl-2-hydroxy-3-phenylpropanoate.
Chemical Property Profile of Cyclopropaneglycolic acid, alpha-benzyl-, 2-(diethylamino)ethyl ester
Property Insights of Cyclopropaneglycolic acid, alpha-benzyl-, 2-(diethylamino)ethyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopropaneglycolic acid, alpha-benzyl-, 2-(diethylamino)ethyl ester. With a topological polar surface area (TPSA) of 49.8 Ų, Cyclopropaneglycolic acid, alpha-benzyl-, 2-(diethylamino)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopropaneglycolic acid, alpha-benzyl-, 2-(diethylamino)ethyl ester has 1 hydrogen bond donor(s) and 4 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 Cyclopropaneglycolic acid, alpha-benzyl-, 2-(diethylamino)ethyl ester?
The CAS number of Cyclopropaneglycolic acid, alpha-benzyl-, 2-(diethylamino)ethyl ester is 102571-14-2.
What is the molecular formula of Cyclopropaneglycolic acid, alpha-benzyl-, 2-(diethylamino)ethyl ester?
The molecular formula of Cyclopropaneglycolic acid, alpha-benzyl-, 2-(diethylamino)ethyl ester is C18H27NO3.
What is the molecular weight of Cyclopropaneglycolic acid, alpha-benzyl-, 2-(diethylamino)ethyl ester?
The molecular weight of Cyclopropaneglycolic acid, alpha-benzyl-, 2-(diethylamino)ethyl ester is 305.20 g/mol.
Where can I buy Cyclopropaneglycolic acid, alpha-benzyl-, 2-(diethylamino)ethyl ester?
You can request a quote for Cyclopropaneglycolic acid, alpha-benzyl-, 2-(diethylamino)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopropaneglycolic acid, alpha-benzyl-, 2-(diethylamino)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclopropaneglycolic acid, alpha-benzyl-, 2-(diethylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.