3-(Azepan-1-yl)propyl 2,2-diphenyl-2-propoxyacetate hydrochloride
TL;DR: 3-(Azepan-1-yl)propyl 2,2-diphenyl-2-propoxyacetate hydrochloride (CAS 128887-59-2) is a chemical compound with molecular formula C26H36ClNO3 and molecular weight 445.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-yl)propyl 2,2-diphenyl-2-propoxyacetate;hydrochloride
Also Known As: 3-(1-Azepanyl)propyl diphenyl(propoxy)acetate hydrochloride, 3-(azepan-1-yl)propyl 2,2-diphenyl-2-propoxyacetate hydrochloride, 3-(azepan-1-yl)propyl 2,2-diphenyl-2-propoxy-acetate Hydrochloride
| Molecular Formula | C26H36ClNO3 |
|---|---|
| Molecular Weight | 445.24 g/mol |
| LogP | 5.5879 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 445.23837 |
| Heavy Atoms | 31 |
| Complexity | 706.2621 |
Chemical Identifiers
| CAS Number | 128887-59-2 |
|---|---|
| SMILES | CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCCN3CCCCCC3.Cl |
Product Overview
3-(Azepan-1-yl)propyl 2,2-diphenyl-2-propoxyacetate hydrochloride (CAS 128887-59-2), with molecular formula C26H36ClNO3 and molecular weight 445.24 g/mol. IUPAC: 3-(azepan-1-yl)propyl 2,2-diphenyl-2-propoxyacetate;hydrochloride.
Chemical Property Profile of 3-(Azepan-1-yl)propyl 2,2-diphenyl-2-propoxyacetate hydrochloride
Property Insights of 3-(Azepan-1-yl)propyl 2,2-diphenyl-2-propoxyacetate hydrochloride
The XLogP value of 5.5879 indicates that 3-(Azepan-1-yl)propyl 2,2-diphenyl-2-propoxyacetate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, 3-(Azepan-1-yl)propyl 2,2-diphenyl-2-propoxyacetate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Azepan-1-yl)propyl 2,2-diphenyl-2-propoxyacetate hydrochloride has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Azepan-1-yl)propyl 2,2-diphenyl-2-propoxyacetate hydrochloride?
The CAS number of 3-(Azepan-1-yl)propyl 2,2-diphenyl-2-propoxyacetate hydrochloride is 128887-59-2.
What is the molecular formula of 3-(Azepan-1-yl)propyl 2,2-diphenyl-2-propoxyacetate hydrochloride?
The molecular formula of 3-(Azepan-1-yl)propyl 2,2-diphenyl-2-propoxyacetate hydrochloride is C26H36ClNO3.
What is the molecular weight of 3-(Azepan-1-yl)propyl 2,2-diphenyl-2-propoxyacetate hydrochloride?
The molecular weight of 3-(Azepan-1-yl)propyl 2,2-diphenyl-2-propoxyacetate hydrochloride is 445.24 g/mol.
Where can I buy 3-(Azepan-1-yl)propyl 2,2-diphenyl-2-propoxyacetate hydrochloride?
You can request a quote for 3-(Azepan-1-yl)propyl 2,2-diphenyl-2-propoxyacetate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Azepan-1-yl)propyl 2,2-diphenyl-2-propoxyacetate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(Azepan-1-yl)propyl 2,2-diphenyl-2-propoxyacetate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.