(2,6-Dimethylphenyl) 2-(diethylamino)butanoate
TL;DR: (2,6-Dimethylphenyl) 2-(diethylamino)butanoate (CAS 2100-59-6) is a chemical compound with molecular formula C16H25NO2 and molecular weight 263.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dimethylphenyl) 2-(diethylamino)butanoate
Also Known As: (2,6-dimethylphenyl) 2-(diethylamino)butanoate, (2,6-dimethylphenyl) 2-diethylaminobutanoate, 2,6-dimethylphenyl 2-(diethylamino)butanoate
| Molecular Formula | C16H25NO2 |
|---|---|
| Molecular Weight | 263.19 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 263.18854 |
| Heavy Atoms | 19 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 2100-59-6 |
|---|---|
| SMILES | CCC(C(=O)OC1=C(C=CC=C1C)C)N(CC)CC |
| InChIKey | NWDASUNGNFNLAX-UHFFFAOYSA-N |
Product Overview
(2,6-Dimethylphenyl) 2-(diethylamino)butanoate (CAS 2100-59-6), with molecular formula C16H25NO2 and molecular weight 263.19 g/mol. IUPAC: (2,6-dimethylphenyl) 2-(diethylamino)butanoate.
Chemical Property Profile of (2,6-Dimethylphenyl) 2-(diethylamino)butanoate
Property Insights of (2,6-Dimethylphenyl) 2-(diethylamino)butanoate
The XLogP value of 4.1 indicates that (2,6-Dimethylphenyl) 2-(diethylamino)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, (2,6-Dimethylphenyl) 2-(diethylamino)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,6-Dimethylphenyl) 2-(diethylamino)butanoate 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 (2,6-Dimethylphenyl) 2-(diethylamino)butanoate?
The CAS number of (2,6-Dimethylphenyl) 2-(diethylamino)butanoate is 2100-59-6.
What is the molecular formula of (2,6-Dimethylphenyl) 2-(diethylamino)butanoate?
The molecular formula of (2,6-Dimethylphenyl) 2-(diethylamino)butanoate is C16H25NO2.
What is the molecular weight of (2,6-Dimethylphenyl) 2-(diethylamino)butanoate?
The molecular weight of (2,6-Dimethylphenyl) 2-(diethylamino)butanoate is 263.19 g/mol.
Where can I buy (2,6-Dimethylphenyl) 2-(diethylamino)butanoate?
You can request a quote for (2,6-Dimethylphenyl) 2-(diethylamino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,6-Dimethylphenyl) 2-(diethylamino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (2,6-Dimethylphenyl) 2-(diethylamino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.