1-(Dimethylamino)-5-phenylpentan-3-yl benzoate
TL;DR: 1-(Dimethylamino)-5-phenylpentan-3-yl benzoate (CAS 58556-88-0) is a chemical compound with molecular formula C20H25NO2 and molecular weight 311.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(dimethylamino)-5-phenylpentan-3-yl] benzoate
Also Known As: 1-(Dimethylamino)-5-phenylpentan-3-yl benzoate, [1-(dimethylamino)-5-phenylpentan-3-yl] benzoate
| Molecular Formula | C20H25NO2 |
|---|---|
| Molecular Weight | 311.19 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 311.18854 |
| Heavy Atoms | 23 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 58556-88-0 |
|---|---|
| SMILES | CN(C)CCC(CCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2 |
| InChIKey | CURSGSSOOSTNLO-UHFFFAOYSA-N |
Product Overview
1-(Dimethylamino)-5-phenylpentan-3-yl benzoate (CAS 58556-88-0), with molecular formula C20H25NO2 and molecular weight 311.19 g/mol. IUPAC: [1-(dimethylamino)-5-phenylpentan-3-yl] benzoate.
Chemical Property Profile of 1-(Dimethylamino)-5-phenylpentan-3-yl benzoate
Property Insights of 1-(Dimethylamino)-5-phenylpentan-3-yl benzoate
The XLogP value of 4.5 indicates that 1-(Dimethylamino)-5-phenylpentan-3-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 1-(Dimethylamino)-5-phenylpentan-3-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Dimethylamino)-5-phenylpentan-3-yl 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 1-(Dimethylamino)-5-phenylpentan-3-yl benzoate?
The CAS number of 1-(Dimethylamino)-5-phenylpentan-3-yl benzoate is 58556-88-0.
What is the molecular formula of 1-(Dimethylamino)-5-phenylpentan-3-yl benzoate?
The molecular formula of 1-(Dimethylamino)-5-phenylpentan-3-yl benzoate is C20H25NO2.
What is the molecular weight of 1-(Dimethylamino)-5-phenylpentan-3-yl benzoate?
The molecular weight of 1-(Dimethylamino)-5-phenylpentan-3-yl benzoate is 311.19 g/mol.
Where can I buy 1-(Dimethylamino)-5-phenylpentan-3-yl benzoate?
You can request a quote for 1-(Dimethylamino)-5-phenylpentan-3-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Dimethylamino)-5-phenylpentan-3-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(Dimethylamino)-5-phenylpentan-3-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.