3-(4,5-Dimethyl-1,4-diazepan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate
TL;DR: 3-(4,5-Dimethyl-1,4-diazepan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate (CAS 5177-61-7) is a chemical compound with molecular formula C24H32N2O3 and molecular weight 396.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,5-dimethyl-1,4-diazepan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate
Also Known As: 3-(4,5-dimethyl-1,4-diazepan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate, 3-(4,5-Dimethyl-1,4-diazepan-1-yl)propyl hydroxydi(phenyl)acetate
| Molecular Formula | C24H32N2O3 |
|---|---|
| Molecular Weight | 396.24 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.2413 |
| Heavy Atoms | 29 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 5177-61-7 |
|---|---|
| SMILES | CC1CCN(CCN1C)CCCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O |
| InChIKey | DXHCKJUCLLXPRL-UHFFFAOYSA-N |
Product Overview
3-(4,5-Dimethyl-1,4-diazepan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate (CAS 5177-61-7), with molecular formula C24H32N2O3 and molecular weight 396.24 g/mol. IUPAC: 3-(4,5-dimethyl-1,4-diazepan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of 3-(4,5-Dimethyl-1,4-diazepan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate
Property Insights of 3-(4,5-Dimethyl-1,4-diazepan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate
The XLogP value of 3.6 indicates that 3-(4,5-Dimethyl-1,4-diazepan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, 3-(4,5-Dimethyl-1,4-diazepan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4,5-Dimethyl-1,4-diazepan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate has 1 hydrogen bond donor(s) and 5 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-(4,5-Dimethyl-1,4-diazepan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate?
The CAS number of 3-(4,5-Dimethyl-1,4-diazepan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate is 5177-61-7.
What is the molecular formula of 3-(4,5-Dimethyl-1,4-diazepan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate?
The molecular formula of 3-(4,5-Dimethyl-1,4-diazepan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate is C24H32N2O3.
What is the molecular weight of 3-(4,5-Dimethyl-1,4-diazepan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate?
The molecular weight of 3-(4,5-Dimethyl-1,4-diazepan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate is 396.24 g/mol.
Where can I buy 3-(4,5-Dimethyl-1,4-diazepan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate?
You can request a quote for 3-(4,5-Dimethyl-1,4-diazepan-1-yl)propyl 2-hydroxy-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-(4,5-Dimethyl-1,4-diazepan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4,5-Dimethyl-1,4-diazepan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.