RefChem:1054930
TL;DR: RefChem:1054930 (CAS 37483-59-3) is a chemical compound with molecular formula C14H20Cl2N2O2 and molecular weight 318.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-(8-chloro-3,4-dihydro-2H-1-benzoxepin-5-ylidene)amino]oxyethyl-dimethylazanium chloride
Also Known As: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-8-chloro-, O-(2-(dimethylamino)ethyl)oxime, monohydrochloride, 3,4-Dihydro-8-chloro-1-benzoxepin-5(2H)-one O-(2-(dimethylamino)ethyl)oxime hydrochloride, O-(2-Dimethylaminoethyl)-5-oximino-8-chloro-2,3-dihydro-4H-1-benzoxepin hydrochloride, 1-BENZOXEPIN-5(2H)-ONE, 3,4-DIHYDRO-8-CHLORO-, O-(2-(DIMETHYLAMINO)ETHYL)OXIME,, RefChem:1054930
| Molecular Formula | C14H20Cl2N2O2 |
|---|---|
| Molecular Weight | 318.09 g/mol |
| LogP | -1.6182 |
| Topological Polar Surface Area | 35.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.09018 |
| Heavy Atoms | 20 |
| Complexity | 464.48718 |
Chemical Identifiers
| CAS Number | 37483-59-3 |
|---|---|
| SMILES | C[NH+](C)CCO/N=C/1\CCCOC2=C1C=CC(=C2)Cl.[Cl-] |
Product Overview
RefChem:1054930 (CAS 37483-59-3), with molecular formula C14H20Cl2N2O2 and molecular weight 318.09 g/mol. IUPAC: 2-[(E)-(8-chloro-3,4-dihydro-2H-1-benzoxepin-5-ylidene)amino]oxyethyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:1054930
Property Insights of RefChem:1054930
The XLogP value of -1.6182 indicates that RefChem:1054930 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 35.26 Ų, RefChem:1054930 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054930 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:1054930?
The CAS number of RefChem:1054930 is 37483-59-3.
What is the molecular formula of RefChem:1054930?
The molecular formula of RefChem:1054930 is C14H20Cl2N2O2.
What is the molecular weight of RefChem:1054930?
The molecular weight of RefChem:1054930 is 318.09 g/mol.
Where can I buy RefChem:1054930?
You can request a quote for RefChem:1054930 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054930?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054930 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.