RefChem:1054923
TL;DR: RefChem:1054923 (CAS 55579-97-0) is a chemical compound with molecular formula C16H22Cl2N2O2 and molecular weight 344.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-7-chloro-N-(2-pyrrolidin-1-ylethoxy)-3,4-dihydro-2H-1-benzoxepin-5-imine;hydrochloride
Also Known As: 7-Chloro-3,4-dihydro-1-benzoxepin-O-(1-pyrrolidinylethyl)-5-one oxime hydrochloride, 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-chloro-, O-(2-(1-pyrrolidinyl)ethyl)oxime, monohydrochloride, 7-chloro-N-(2-pyrrolidin-1-ylethoxy)-3,4-dihydro-2H-1-benzoxepin-5-imine hydrochloride, RefChem:1054923
| Molecular Formula | C16H22Cl2N2O2 |
|---|---|
| Molecular Weight | 344.11 g/mol |
| LogP | 3.7509 |
| Topological Polar Surface Area | 34.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.10583 |
| Heavy Atoms | 22 |
| Complexity | 516.8673 |
Chemical Identifiers
| CAS Number | 55579-97-0 |
|---|---|
| SMILES | C1CCN(C1)CCO/N=C\2/CCCOC3=C2C=C(C=C3)Cl.Cl |
Product Overview
RefChem:1054923 (CAS 55579-97-0), with molecular formula C16H22Cl2N2O2 and molecular weight 344.11 g/mol. IUPAC: (Z)-7-chloro-N-(2-pyrrolidin-1-ylethoxy)-3,4-dihydro-2H-1-benzoxepin-5-imine;hydrochloride.
Chemical Property Profile of RefChem:1054923
Property Insights of RefChem:1054923
The XLogP value of 3.7509 indicates that RefChem:1054923 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.06 Ų, RefChem:1054923 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054923 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 RefChem:1054923?
The CAS number of RefChem:1054923 is 55579-97-0.
What is the molecular formula of RefChem:1054923?
The molecular formula of RefChem:1054923 is C16H22Cl2N2O2.
What is the molecular weight of RefChem:1054923?
The molecular weight of RefChem:1054923 is 344.11 g/mol.
Where can I buy RefChem:1054923?
You can request a quote for RefChem:1054923 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054923?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054923 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.