RefChem:1097909
TL;DR: RefChem:1097909 (CAS 36226-69-4) is a chemical compound with molecular formula C17H13Cl3N2O and molecular weight 366.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-[2-(4,5-dichloroquinolin-1-ium-1-yl)-1-phenylethylidene]hydroxylamine chloride
Also Known As: C17H13Cl2N2O.Cl.3/2H2O, 1-Phenacyloxime-4,5-dichloroquinolinium chloride hydrate, C17-H13-Cl2-N2-O.Cl.3/2H2-O, 4,5-Dichloro-1-(2-(hydroxyimino)-2-phenylethyl)quinolinium chloride hydrate, Quinolinium, 4,5-dichloro-1-(2-(hydroxyimino)-2-phenylethyl)-, chloride, hydrate (2:2:3)
| Molecular Formula | C17H13Cl3N2O |
|---|---|
| Molecular Weight | 366.01 g/mol |
| LogP | 1.3166 |
| Topological Polar Surface Area | 36.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.00934 |
| Heavy Atoms | 23 |
| Complexity | 842.83636 |
Chemical Identifiers
| CAS Number | 36226-69-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C(=N\O)/C[N+]2=C3C=CC=C(C3=C(C=C2)Cl)Cl.[Cl-] |
Product Overview
RefChem:1097909 (CAS 36226-69-4), with molecular formula C17H13Cl3N2O and molecular weight 366.01 g/mol. IUPAC: (NE)-N-[2-(4,5-dichloroquinolin-1-ium-1-yl)-1-phenylethylidene]hydroxylamine chloride.
Chemical Property Profile of RefChem:1097909
Property Insights of RefChem:1097909
The XLogP value of 1.3166 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1097909. With a topological polar surface area (TPSA) of 36.47 Ų, RefChem:1097909 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1097909 has 1 hydrogen bond donor(s) and 2 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:1097909?
The CAS number of RefChem:1097909 is 36226-69-4.
What is the molecular formula of RefChem:1097909?
The molecular formula of RefChem:1097909 is C17H13Cl3N2O.
What is the molecular weight of RefChem:1097909?
The molecular weight of RefChem:1097909 is 366.01 g/mol.
Where can I buy RefChem:1097909?
You can request a quote for RefChem:1097909 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097909?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097909 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.