3-(Dimethylamino)butyl 2-ethoxy-2,2-diphenylacetate
TL;DR: 3-(Dimethylamino)butyl 2-ethoxy-2,2-diphenylacetate (CAS 802258-97-5) is a chemical compound with molecular formula C22H29NO3 and molecular weight 355.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)butyl 2-ethoxy-2,2-diphenylacetate
Also Known As: 3-(dimethylamino)butyl ethoxy(diphenyl)acetate, 3-(dimethylamino)butyl 2-ethoxy-2,2-diphenylacetate, 3-dimethylaminobutyl 2-ethoxy-2,2-diphenyl-acetate
| Molecular Formula | C22H29NO3 |
|---|---|
| Molecular Weight | 355.21 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 355.21475 |
| Heavy Atoms | 26 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 802258-97-5 |
|---|---|
| SMILES | CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCC(C)N(C)C |
| InChIKey | XWLVEFFRPBSRQK-UHFFFAOYSA-N |
Product Overview
3-(Dimethylamino)butyl 2-ethoxy-2,2-diphenylacetate (CAS 802258-97-5), with molecular formula C22H29NO3 and molecular weight 355.21 g/mol. IUPAC: 3-(dimethylamino)butyl 2-ethoxy-2,2-diphenylacetate.
Chemical Property Profile of 3-(Dimethylamino)butyl 2-ethoxy-2,2-diphenylacetate
Property Insights of 3-(Dimethylamino)butyl 2-ethoxy-2,2-diphenylacetate
The XLogP value of 4.4 indicates that 3-(Dimethylamino)butyl 2-ethoxy-2,2-diphenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 3-(Dimethylamino)butyl 2-ethoxy-2,2-diphenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)butyl 2-ethoxy-2,2-diphenylacetate has 0 hydrogen bond donor(s) and 4 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)butyl 2-ethoxy-2,2-diphenylacetate?
The CAS number of 3-(Dimethylamino)butyl 2-ethoxy-2,2-diphenylacetate is 802258-97-5.
What is the molecular formula of 3-(Dimethylamino)butyl 2-ethoxy-2,2-diphenylacetate?
The molecular formula of 3-(Dimethylamino)butyl 2-ethoxy-2,2-diphenylacetate is C22H29NO3.
What is the molecular weight of 3-(Dimethylamino)butyl 2-ethoxy-2,2-diphenylacetate?
The molecular weight of 3-(Dimethylamino)butyl 2-ethoxy-2,2-diphenylacetate is 355.21 g/mol.
Where can I buy 3-(Dimethylamino)butyl 2-ethoxy-2,2-diphenylacetate?
You can request a quote for 3-(Dimethylamino)butyl 2-ethoxy-2,2-diphenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylamino)butyl 2-ethoxy-2,2-diphenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)butyl 2-ethoxy-2,2-diphenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.