苯基乙酸2-(二甲氨基)乙酯
TL;DR: 苯基乙酸2-(二甲氨基)乙酯 (CAS 36882-00-5) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯基乙酸2-(二甲氨基)乙酯
2-(dimethylamino)ethyl 2-phenylacetate
Also Known As: 2-(dimethylamino)ethyl phenylacetate, Benzeneacetic acid, 2-(dimethylamino)ethyl ester, ACETIC ACID, PHENYL-, 2-(DIMETHYLAMINO)ETHYL ESTER, 2-dimethylaminoethyl 2-phenylacetate, Phenylacetic acid 2-(dimethylamino)ethyl ester
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 36882-00-5 |
|---|---|
| SMILES | CN(C)CCOC(=O)CC1=CC=CC=C1 |
| InChIKey | KJAORRLXEXMTSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯基乙酸2-(二甲氨基)乙酯 (CAS 36882-00-5), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: 2-(dimethylamino)ethyl 2-phenylacetate.
Chemical Property Profile of 苯基乙酸2-(二甲氨基)乙酯
Property Insights of 苯基乙酸2-(二甲氨基)乙酯
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯基乙酸2-(二甲氨基)乙酯. With a topological polar surface area (TPSA) of 29.5 Ų, 苯基乙酸2-(二甲氨基)乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯基乙酸2-(二甲氨基)乙酯 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 苯基乙酸2-(二甲氨基)乙酯?
The CAS number of 苯基乙酸2-(二甲氨基)乙酯 is 36882-00-5.
What is the molecular formula of 苯基乙酸2-(二甲氨基)乙酯?
The molecular formula of 苯基乙酸2-(二甲氨基)乙酯 is C12H17NO2.
What is the molecular weight of 苯基乙酸2-(二甲氨基)乙酯?
The molecular weight of 苯基乙酸2-(二甲氨基)乙酯 is 207.13 g/mol.
Where can I buy 苯基乙酸2-(二甲氨基)乙酯?
You can request a quote for 苯基乙酸2-(二甲氨基)乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯基乙酸2-(二甲氨基)乙酯?
Yes, KEHONG BIO provides custom synthesis services for 苯基乙酸2-(二甲氨基)乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.