3-(Dimethylamino)propyl 3,5-ditert-butylbenzoate
TL;DR: 3-(Dimethylamino)propyl 3,5-ditert-butylbenzoate (CAS 860614-65-9) is a chemical compound with molecular formula C20H33NO2 and molecular weight 319.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)propyl 3,5-ditert-butylbenzoate
Also Known As: 3-(dimethylamino)propyl 3,5-ditert-butylbenzoate, 3-(dimethylamino)propyl 3,5-di-tert-butylbenzoate, AO-365/41272977, AB01320700-02
| Molecular Formula | C20H33NO2 |
|---|---|
| Molecular Weight | 319.25 g/mol |
| LogP | 4.3901 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.25113 |
| Heavy Atoms | 23 |
| Complexity | 501.30316 |
Chemical Identifiers
| CAS Number | 860614-65-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1)C(=O)OCCCN(C)C)C(C)(C)C |
Product Overview
3-(Dimethylamino)propyl 3,5-ditert-butylbenzoate (CAS 860614-65-9), with molecular formula C20H33NO2 and molecular weight 319.25 g/mol. IUPAC: 3-(dimethylamino)propyl 3,5-ditert-butylbenzoate.
Chemical Property Profile of 3-(Dimethylamino)propyl 3,5-ditert-butylbenzoate
Property Insights of 3-(Dimethylamino)propyl 3,5-ditert-butylbenzoate
The XLogP value of 4.3901 indicates that 3-(Dimethylamino)propyl 3,5-ditert-butylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 3-(Dimethylamino)propyl 3,5-ditert-butylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)propyl 3,5-ditert-butylbenzoate 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 3,5-ditert-butylbenzoate?
The CAS number of 3-(Dimethylamino)propyl 3,5-ditert-butylbenzoate is 860614-65-9.
What is the molecular formula of 3-(Dimethylamino)propyl 3,5-ditert-butylbenzoate?
The molecular formula of 3-(Dimethylamino)propyl 3,5-ditert-butylbenzoate is C20H33NO2.
What is the molecular weight of 3-(Dimethylamino)propyl 3,5-ditert-butylbenzoate?
The molecular weight of 3-(Dimethylamino)propyl 3,5-ditert-butylbenzoate is 319.25 g/mol.
Where can I buy 3-(Dimethylamino)propyl 3,5-ditert-butylbenzoate?
You can request a quote for 3-(Dimethylamino)propyl 3,5-ditert-butylbenzoate 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 3,5-ditert-butylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)propyl 3,5-ditert-butylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.