LEDOXANTRONE
TL;DR: LEDOXANTRONE (CAS 113457-05-9) is a chemical compound with molecular formula C19H23N5OS and molecular weight 369.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(2-aminoethylamino)-14-[2-(ethylamino)ethyl]-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,6,9,11,13(16)-hexaen-5-one
Also Known As: LEDOXANTRONE, CI 958
| Molecular Formula | C19H23N5OS |
|---|---|
| Molecular Weight | 369.16 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 369.16232 |
| Heavy Atoms | 26 |
| Complexity | 658.0 |
Chemical Identifiers
| CAS Number | 113457-05-9 |
|---|---|
| SMILES | CCNCCN1C2=C3C(=C4C=CC(=O)C=C4SC3=C(C=C2)NCCN)N1 |
| InChIKey | LLPAHGKOIUUTHQ-UHFFFAOYSA-N |
Product Overview
LEDOXANTRONE (CAS 113457-05-9), with molecular formula C19H23N5OS and molecular weight 369.16 g/mol. IUPAC: 10-(2-aminoethylamino)-14-[2-(ethylamino)ethyl]-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,6,9,11,13(16)-hexaen-5-one.
Chemical Property Profile of LEDOXANTRONE
Property Insights of LEDOXANTRONE
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for LEDOXANTRONE. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for LEDOXANTRONE. Following Lipinski's Rule of Five, LEDOXANTRONE has 4 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 LEDOXANTRONE?
The CAS number of LEDOXANTRONE is 113457-05-9.
What is the molecular formula of LEDOXANTRONE?
The molecular formula of LEDOXANTRONE is C19H23N5OS.
What is the molecular weight of LEDOXANTRONE?
The molecular weight of LEDOXANTRONE is 369.16 g/mol.
Where can I buy LEDOXANTRONE?
You can request a quote for LEDOXANTRONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LEDOXANTRONE?
Yes, KEHONG BIO provides custom synthesis services for LEDOXANTRONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.