RefChem:337002
TL;DR: RefChem:337002 (CAS 63883-13-6) is a chemical compound with molecular formula C22H26ClNO4 and molecular weight 403.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[2-(11-oxo-6H-benzo[c][1]benzoxepin-3-yl)acetyl]oxyethyl]azanium chloride
Also Known As: N,N-Diethylaminoethyl 6,11-dihydro-11-oxodibenz(b,e)oxepin-3-acetate hydrochloride, Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-11-oxo, 2-(diethyl amino)ethyl ester, hydrochloride, diethyl-[2-[2-(11-oxo-6H-benzo[c][2]benzoxepin-3-yl)acetyl]oxyethyl]azanium chloride, diethyl-[2-[2-(11-oxo-6H-benzo[c][1]benzoxepin-3-yl)acetyl]oxyethyl]azanium chloride, RefChem:337002
| Molecular Formula | C22H26ClNO4 |
|---|---|
| Molecular Weight | 403.16 g/mol |
| LogP | -1.18 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.15503 |
| Heavy Atoms | 28 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 63883-13-6 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CO2.[Cl-] |
| InChIKey | YQYGOPWDCVUEGQ-UHFFFAOYSA-N |
Product Overview
RefChem:337002 (CAS 63883-13-6), with molecular formula C22H26ClNO4 and molecular weight 403.16 g/mol. IUPAC: diethyl-[2-[2-(11-oxo-6H-benzo[c][1]benzoxepin-3-yl)acetyl]oxyethyl]azanium chloride.
Chemical Property Profile of RefChem:337002
Property Insights of RefChem:337002
The XLogP value of -1.18 indicates that RefChem:337002 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.0 Ų, RefChem:337002 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:337002 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 RefChem:337002?
The CAS number of RefChem:337002 is 63883-13-6.
What is the molecular formula of RefChem:337002?
The molecular formula of RefChem:337002 is C22H26ClNO4.
What is the molecular weight of RefChem:337002?
The molecular weight of RefChem:337002 is 403.16 g/mol.
Where can I buy RefChem:337002?
You can request a quote for RefChem:337002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:337002?
Yes, KEHONG BIO provides custom synthesis services for RefChem:337002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.