3-(Dimethylamino)propyl benzoate
TL;DR: 3-(Dimethylamino)propyl benzoate (CAS 25314-80-1) 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.
3-(dimethylamino)propyl benzoate
Also Known As: 3-(Dimethylamino)propyl benzoate, 3-(dimethylamino) propyl benzoate, 1-benzoyloxy-3-dimethylamino-propane, 1-Propanol, 3-(dimethylamino)-, 1-benzoate, Benzoic acid 3-(dimethylamino)propyl ester
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 1.7951 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 295.75024 |
Chemical Identifiers
| CAS Number | 25314-80-1 |
|---|---|
| SMILES | CN(C)CCCOC(=O)C1=CC=CC=C1 |
Product Overview
3-(Dimethylamino)propyl benzoate (CAS 25314-80-1), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: 3-(dimethylamino)propyl benzoate.
Chemical Property Profile of 3-(Dimethylamino)propyl benzoate
Property Insights of 3-(Dimethylamino)propyl benzoate
The XLogP value of 1.7951 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)propyl benzoate. With a topological polar surface area (TPSA) of 29.54 Ų, 3-(Dimethylamino)propyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)propyl benzoate 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 3-(Dimethylamino)propyl benzoate?
The CAS number of 3-(Dimethylamino)propyl benzoate is 25314-80-1.
What is the molecular formula of 3-(Dimethylamino)propyl benzoate?
The molecular formula of 3-(Dimethylamino)propyl benzoate is C12H17NO2.
What is the molecular weight of 3-(Dimethylamino)propyl benzoate?
The molecular weight of 3-(Dimethylamino)propyl benzoate is 207.13 g/mol.
Where can I buy 3-(Dimethylamino)propyl benzoate?
You can request a quote for 3-(Dimethylamino)propyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylamino)propyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)propyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.