![N-Pentamethylene 2-(3-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine citrate [French] structure](/static/products/813/81320-23-2.png)
N-Pentamethylene 2-(3-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine citrate [French]
TL;DR: N-Pentamethylene 2-(3-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine citrate [French] (CAS 81320-23-2) is a chemical compound with molecular formula C26H30ClNO9 and molecular weight 535.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(9-chloro-6H-benzo[b][1,4]benzodioxepin-6-yl)ethyl]piperidine;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: N-Pentamethylene 2-(3-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine citrate [French], Piperidine, 1-(2-(3-chloro-11H-dibenzo(b,e)(1,4)dioxepin-11-yl)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1), N-Pentamethylene 2-(3-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine citrate, 1-[2-(9-chloro-6H-benzo[b][1,4]benzodioxepin-6-yl)ethyl]piperidine; 2-hydroxypropane-1,2,3-tricarboxylic acid, 2-Hydroxypropane-1,2,3-tricarboxylic acid--1-[2-(3-chloro-11H-dibenzo[b,e][1,4]dioxepin-11-yl)ethyl]piperidine (1/1)
| Molecular Formula | C26H30ClNO9 |
|---|---|
| Molecular Weight | 535.16 g/mol |
| LogP | 4.1933 |
| Topological Polar Surface Area | 153.83 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 535.1609 |
| Heavy Atoms | 37 |
| Complexity | 1100.9762 |
Chemical Identifiers
| CAS Number | 81320-23-2 |
|---|---|
| SMILES | C1CCN(CC1)CCC2C3=C(C=C(C=C3)Cl)OC4=CC=CC=C4O2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
N-Pentamethylene 2-(3-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine citrate [French] (CAS 81320-23-2), with molecular formula C26H30ClNO9 and molecular weight 535.16 g/mol. IUPAC: 1-[2-(9-chloro-6H-benzo[b][1,4]benzodioxepin-6-yl)ethyl]piperidine;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of N-Pentamethylene 2-(3-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine citrate [French]
Property Insights of N-Pentamethylene 2-(3-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine citrate [French]
The XLogP value of 4.1933 indicates that N-Pentamethylene 2-(3-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine citrate [French] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.83 Ų indicates high polarity, suggesting N-Pentamethylene 2-(3-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine citrate [French] may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Pentamethylene 2-(3-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine citrate [French] has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Pentamethylene 2-(3-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine citrate [French]?
The CAS number of N-Pentamethylene 2-(3-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine citrate [French] is 81320-23-2.
What is the molecular formula of N-Pentamethylene 2-(3-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine citrate [French]?
The molecular formula of N-Pentamethylene 2-(3-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine citrate [French] is C26H30ClNO9.
What is the molecular weight of N-Pentamethylene 2-(3-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine citrate [French]?
The molecular weight of N-Pentamethylene 2-(3-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine citrate [French] is 535.16 g/mol.
Where can I buy N-Pentamethylene 2-(3-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine citrate [French]?
You can request a quote for N-Pentamethylene 2-(3-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine citrate [French] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Pentamethylene 2-(3-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine citrate [French]?
Yes, KEHONG BIO provides custom synthesis services for N-Pentamethylene 2-(3-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine citrate [French] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.