1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-bromo-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride
TL;DR: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-bromo-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride (CAS 55580-10-4) is a chemical compound with molecular formula C16H24BrClN2O2 and molecular weight 390.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(Z)-(7-bromo-3,4-dihydro-2H-1-benzoxepin-5-ylidene)amino]oxy-N,N-diethylethanamine;hydrochloride
Also Known As: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-bromo-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride, 7-Bromo-3,4-dihydro-1-benzoxepin-O-(diethylaminoethyl)-5-one oxime hydrochloride, 2-[(Z)-(7-bromo-3,4-dihydro-2H-1-benzoxepin-5-ylidene)amino]oxy-N,N-diethylethanamine hydrochloride, RefChem:1054922
| Molecular Formula | C16H24BrClN2O2 |
|---|---|
| Molecular Weight | 390.07 g/mol |
| LogP | 4.106 |
| Topological Polar Surface Area | 34.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.07098 |
| Heavy Atoms | 22 |
| Complexity | 493.03418 |
Chemical Identifiers
| CAS Number | 55580-10-4 |
|---|---|
| SMILES | CCN(CC)CCO/N=C\1/CCCOC2=C1C=C(C=C2)Br.Cl |
Product Overview
1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-bromo-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride (CAS 55580-10-4), with molecular formula C16H24BrClN2O2 and molecular weight 390.07 g/mol. IUPAC: 2-[(Z)-(7-bromo-3,4-dihydro-2H-1-benzoxepin-5-ylidene)amino]oxy-N,N-diethylethanamine;hydrochloride.
Chemical Property Profile of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-bromo-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride
Property Insights of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-bromo-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride
The XLogP value of 4.106 indicates that 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-bromo-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.06 Ų, 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-bromo-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-bromo-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride has 0 hydrogen bond donor(s) and 4 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 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-bromo-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride?
The CAS number of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-bromo-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride is 55580-10-4.
What is the molecular formula of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-bromo-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride?
The molecular formula of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-bromo-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride is C16H24BrClN2O2.
What is the molecular weight of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-bromo-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride?
The molecular weight of 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-bromo-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride is 390.07 g/mol.
Where can I buy 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-bromo-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride?
You can request a quote for 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-bromo-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-bromo-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-bromo-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.