3-Diethylamino-1-propanol 2-phenylbenzoate
TL;DR: 3-Diethylamino-1-propanol 2-phenylbenzoate (CAS 102698-88-4) is a chemical compound with molecular formula C20H26ClNO2 and molecular weight 347.1652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(diethylamino)propyl 2-phenylbenzoate;hydrochloride
Also Known As: Jaw 669, 3-Diethylamino-1-propanol 2-phenylbenzoate, 3-(diethylamino)propyl 2-phenylbenzoate;hydrochloride, 3-(diethylamino)propan-1-ol,2-phenylbenzoic acid, 3-(diethylamino)propan-1-ol;2-phenylbenzoic acid
Technical Specifications
| Molecular Formula | C20H26ClNO2 |
| Molecular Weight | 347.1652 g/mol |
| XLogP | 4.6641 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 347.1652 Da |
| Heavy Atoms | 24 |
| Complexity | 335.0 |
| SMILES | CCN(CC)CCCOC(=O)C1=CC=CC=C1C2=CC=CC=C2.Cl |
| InChIKey | ZSVBDRQQTKYOKI-UHFFFAOYSA-N |
Chemical Property Profile of 3-Diethylamino-1-propanol 2-phenylbenzoate
Property Insights of 3-Diethylamino-1-propanol 2-phenylbenzoate
The XLogP value of 4.6641 indicates that 3-Diethylamino-1-propanol 2-phenylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 3-Diethylamino-1-propanol 2-phenylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Diethylamino-1-propanol 2-phenylbenzoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Diethylamino-1-propanol 2-phenylbenzoate?
The CAS number of 3-Diethylamino-1-propanol 2-phenylbenzoate is 102698-88-4.
What is the molecular formula of 3-Diethylamino-1-propanol 2-phenylbenzoate?
The molecular formula of 3-Diethylamino-1-propanol 2-phenylbenzoate is C20H26ClNO2.
What is the molecular weight of 3-Diethylamino-1-propanol 2-phenylbenzoate?
The molecular weight of 3-Diethylamino-1-propanol 2-phenylbenzoate is 347.1652 g/mol.
Where can I buy 3-Diethylamino-1-propanol 2-phenylbenzoate?
You can request a quote for 3-Diethylamino-1-propanol 2-phenylbenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Diethylamino-1-propanol 2-phenylbenzoate?
Yes, CoreyChem provides custom synthesis services for 3-Diethylamino-1-propanol 2-phenylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.