C18H11ClN4O5
TL;DR: C18H11ClN4O5 (CAS 877803-52-6) is a chemical compound with molecular formula C18H11ClN4O5 and molecular weight 398.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]-4-nitrobenzamide
Also Known As: (E)-N'-((6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylene)-4-nitrobenzohydrazide, N'-[(E)-(6-chloro[1,3]dioxolo[4,5-g]quinolin-7-yl)methylidene]-4-nitrobenzohydrazide
| Molecular Formula | C18H11ClN4O5 |
|---|---|
| Molecular Weight | 398.04 g/mol |
| LogP | 3.289 |
| Topological Polar Surface Area | 115.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.0418 |
| Heavy Atoms | 28 |
| Complexity | 1131.0193 |
Chemical Identifiers
| CAS Number | 877803-52-6 |
|---|---|
| SMILES | C1OC2=CC3=CC(=C(N=C3C=C2O1)Cl)/C=N/NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
C18H11ClN4O5 (CAS 877803-52-6), with molecular formula C18H11ClN4O5 and molecular weight 398.04 g/mol. IUPAC: N-[(E)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]-4-nitrobenzamide.
Chemical Property Profile of C18H11ClN4O5
Property Insights of C18H11ClN4O5
The XLogP value of 3.289 indicates that C18H11ClN4O5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.95 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H11ClN4O5. Following Lipinski's Rule of Five, C18H11ClN4O5 has 1 hydrogen bond donor(s) and 7 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 C18H11ClN4O5?
The CAS number of C18H11ClN4O5 is 877803-52-6.
What is the molecular formula of C18H11ClN4O5?
The molecular formula of C18H11ClN4O5 is C18H11ClN4O5.
What is the molecular weight of C18H11ClN4O5?
The molecular weight of C18H11ClN4O5 is 398.04 g/mol.
Where can I buy C18H11ClN4O5?
You can request a quote for C18H11ClN4O5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H11ClN4O5?
Yes, KEHONG BIO provides custom synthesis services for C18H11ClN4O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.