2-(dimethylamino)ethyl 4-phenyltetrahydro-2H-pyran-4-carboxylate
TL;DR: 2-(dimethylamino)ethyl 4-phenyltetrahydro-2H-pyran-4-carboxylate (CAS 510717-97-2) is a chemical compound with molecular formula C16H23NO3 and molecular weight 277.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 4-phenyloxane-4-carboxylate
Also Known As: BAS 04387880, 2-dimethylaminoethyl 4-phenyloxane-4-carboxylate, AB00466994-09, 2-(dimethylamino)ethyl 4-phenyltetrahydro-2H-pyran-4-carboxylate, 4-Phenyl-tetrahydro-pyran-4-carboxylic acid 2-dimethylamino-ethyl ester
| Molecular Formula | C16H23NO3 |
|---|---|
| Molecular Weight | 277.17 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 277.1678 |
| Heavy Atoms | 20 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 510717-97-2 |
|---|---|
| SMILES | CN(C)CCOC(=O)C1(CCOCC1)C2=CC=CC=C2 |
| InChIKey | VHNHOBKTWVIXIL-UHFFFAOYSA-N |
Product Overview
2-(dimethylamino)ethyl 4-phenyltetrahydro-2H-pyran-4-carboxylate (CAS 510717-97-2), with molecular formula C16H23NO3 and molecular weight 277.17 g/mol. IUPAC: 2-(dimethylamino)ethyl 4-phenyloxane-4-carboxylate.
Chemical Property Profile of 2-(dimethylamino)ethyl 4-phenyltetrahydro-2H-pyran-4-carboxylate
Property Insights of 2-(dimethylamino)ethyl 4-phenyltetrahydro-2H-pyran-4-carboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(dimethylamino)ethyl 4-phenyltetrahydro-2H-pyran-4-carboxylate. With a topological polar surface area (TPSA) of 38.8 Ų, 2-(dimethylamino)ethyl 4-phenyltetrahydro-2H-pyran-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(dimethylamino)ethyl 4-phenyltetrahydro-2H-pyran-4-carboxylate has 0 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 2-(dimethylamino)ethyl 4-phenyltetrahydro-2H-pyran-4-carboxylate?
The CAS number of 2-(dimethylamino)ethyl 4-phenyltetrahydro-2H-pyran-4-carboxylate is 510717-97-2.
What is the molecular formula of 2-(dimethylamino)ethyl 4-phenyltetrahydro-2H-pyran-4-carboxylate?
The molecular formula of 2-(dimethylamino)ethyl 4-phenyltetrahydro-2H-pyran-4-carboxylate is C16H23NO3.
What is the molecular weight of 2-(dimethylamino)ethyl 4-phenyltetrahydro-2H-pyran-4-carboxylate?
The molecular weight of 2-(dimethylamino)ethyl 4-phenyltetrahydro-2H-pyran-4-carboxylate is 277.17 g/mol.
Where can I buy 2-(dimethylamino)ethyl 4-phenyltetrahydro-2H-pyran-4-carboxylate?
You can request a quote for 2-(dimethylamino)ethyl 4-phenyltetrahydro-2H-pyran-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(dimethylamino)ethyl 4-phenyltetrahydro-2H-pyran-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(dimethylamino)ethyl 4-phenyltetrahydro-2H-pyran-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.