RefChem:1054924
TL;DR: RefChem:1054924 (CAS 55579-96-9) is a chemical compound with molecular formula C16H22Cl2N2O3 and molecular weight 360.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-7-chloro-N-(2-morpholin-4-ylethoxy)-3,4-dihydro-2H-1-benzoxepin-5-imine;hydrochloride
Also Known As: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-chloro-, O-(2-(4-morpholinyl)ethyl)oxime, monohydrochloride, 7-Chloro-3,4-dihydro-1-benzoxepin-O-(morpholinoethyl)-5-one oxime hydrochloride, 7-chloro-N-(2-morpholin-4-ylethoxy)-3,4-dihydro-2H-1-benzoxepin-5-imine hydrochloride, RefChem:1054924
| Molecular Formula | C16H22Cl2N2O3 |
|---|---|
| Molecular Weight | 360.10 g/mol |
| LogP | 2.9873 |
| Topological Polar Surface Area | 43.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.10074 |
| Heavy Atoms | 23 |
| Complexity | 534.0567 |
Chemical Identifiers
| CAS Number | 55579-96-9 |
|---|---|
| SMILES | C1C/C(=N/OCCN2CCOCC2)/C3=C(C=CC(=C3)Cl)OC1.Cl |
Product Overview
RefChem:1054924 (CAS 55579-96-9), with molecular formula C16H22Cl2N2O3 and molecular weight 360.10 g/mol. IUPAC: (Z)-7-chloro-N-(2-morpholin-4-ylethoxy)-3,4-dihydro-2H-1-benzoxepin-5-imine;hydrochloride.
Chemical Property Profile of RefChem:1054924
Property Insights of RefChem:1054924
The XLogP value of 2.9873 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1054924. With a topological polar surface area (TPSA) of 43.29 Ų, RefChem:1054924 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054924 has 0 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:1054924?
The CAS number of RefChem:1054924 is 55579-96-9.
What is the molecular formula of RefChem:1054924?
The molecular formula of RefChem:1054924 is C16H22Cl2N2O3.
What is the molecular weight of RefChem:1054924?
The molecular weight of RefChem:1054924 is 360.10 g/mol.
Where can I buy RefChem:1054924?
You can request a quote for RefChem:1054924 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054924?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054924 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.