8-Benzylamino-7-chloro-5,6-quinolinedione
TL;DR: 8-Benzylamino-7-chloro-5,6-quinolinedione (CAS 26118-69-4) is a chemical compound with molecular formula C16H11ClN2O2 and molecular weight 298.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(benzylamino)-7-chloroquinoline-5,6-dione
Also Known As: 8-(benzylamino)-7-chloroquinoline-5,6-dione, 8-Benzylamino-7-chloro-5,6-quinolinedione, 8-benzylamino-7-chloro-quinoline-5,6-dione, 8-(benzylamino)-7-chloro-quinoline-5,6-dione, 5,6-Quinolinedione,7-chloro-8-[(phenylmethyl)amino]-
| Molecular Formula | C16H11ClN2O2 |
|---|---|
| Molecular Weight | 298.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.0509 |
| Heavy Atoms | 21 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 26118-69-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=C(C(=O)C(=O)C3=C2N=CC=C3)Cl |
| InChIKey | TWYCUVUPOACXOW-UHFFFAOYSA-N |
Product Overview
8-Benzylamino-7-chloro-5,6-quinolinedione (CAS 26118-69-4), with molecular formula C16H11ClN2O2 and molecular weight 298.05 g/mol. IUPAC: 8-(benzylamino)-7-chloroquinoline-5,6-dione.
Chemical Property Profile of 8-Benzylamino-7-chloro-5,6-quinolinedione
Property Insights of 8-Benzylamino-7-chloro-5,6-quinolinedione
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Benzylamino-7-chloro-5,6-quinolinedione. With a topological polar surface area (TPSA) of 59.1 Ų, 8-Benzylamino-7-chloro-5,6-quinolinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Benzylamino-7-chloro-5,6-quinolinedione has 1 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 8-Benzylamino-7-chloro-5,6-quinolinedione?
The CAS number of 8-Benzylamino-7-chloro-5,6-quinolinedione is 26118-69-4.
What is the molecular formula of 8-Benzylamino-7-chloro-5,6-quinolinedione?
The molecular formula of 8-Benzylamino-7-chloro-5,6-quinolinedione is C16H11ClN2O2.
What is the molecular weight of 8-Benzylamino-7-chloro-5,6-quinolinedione?
The molecular weight of 8-Benzylamino-7-chloro-5,6-quinolinedione is 298.05 g/mol.
Where can I buy 8-Benzylamino-7-chloro-5,6-quinolinedione?
You can request a quote for 8-Benzylamino-7-chloro-5,6-quinolinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Benzylamino-7-chloro-5,6-quinolinedione?
Yes, KEHONG BIO provides custom synthesis services for 8-Benzylamino-7-chloro-5,6-quinolinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.