RefChem:337011
TL;DR: RefChem:337011 (CAS 78110-22-2) is a chemical compound with molecular formula C17H18Cl2N2O2 and molecular weight 352.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloro-6-oxobenzo[b][1,4]benzoxazepin-5-yl)ethyl-dimethylazanium chloride
Also Known As: Dibenz(b,f)(1,4)oxazepin-11-one, 10,11-dihydro-7-chloro-10-(2-(dimethylamino)ethyl)-, hydrochloride, 2-(2-chloro-6-oxobenzo[b][1,4]benzoxazepin-5-yl)ethyl-dimethylazanium chloride, DIBENZ(b,f)(1,4)OXAZEPIN-11-ONE, 10,11-DIHYDRO-7-CHLORO-10-(2-(DIMETHYLAMINO)ETH, Dibenz[b,f][1,4]oxazepin-11(10H)-one, 7-chloro-10-[2-(dimethylamino)ethyl]-, monohydrochloride, RefChem:337011
| Molecular Formula | C17H18Cl2N2O2 |
|---|---|
| Molecular Weight | 352.07 g/mol |
| LogP | -0.76 |
| Topological Polar Surface Area | 34.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.07452 |
| Heavy Atoms | 23 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 78110-22-2 |
|---|---|
| SMILES | C[NH+](C)CCN1C2=C(C=C(C=C2)Cl)OC3=CC=CC=C3C1=O.[Cl-] |
| InChIKey | YJKWEWJSJSCUMP-UHFFFAOYSA-N |
Product Overview
RefChem:337011 (CAS 78110-22-2), with molecular formula C17H18Cl2N2O2 and molecular weight 352.07 g/mol. IUPAC: 2-(2-chloro-6-oxobenzo[b][1,4]benzoxazepin-5-yl)ethyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:337011
Property Insights of RefChem:337011
The XLogP value of -0.76 indicates that RefChem:337011 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.0 Ų, RefChem:337011 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:337011 has 1 hydrogen bond donor(s) and 3 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:337011?
The CAS number of RefChem:337011 is 78110-22-2.
What is the molecular formula of RefChem:337011?
The molecular formula of RefChem:337011 is C17H18Cl2N2O2.
What is the molecular weight of RefChem:337011?
The molecular weight of RefChem:337011 is 352.07 g/mol.
Where can I buy RefChem:337011?
You can request a quote for RefChem:337011 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:337011?
Yes, KEHONG BIO provides custom synthesis services for RefChem:337011 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.