Exatecan Mesylate
TL;DR: Exatecan Mesylate (CAS 197720-53-9) is a chemical compound with molecular formula C25H30FN3O9S and molecular weight 567.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanesulfonic acid;dihydrate
Also Known As: Exatecan mesylate, Exatecan mesilate hydrate, Exatecan mesylate hydrate, Exatecan, exatecan mesylate dihydrate
| Molecular Formula | C25H30FN3O9S |
|---|---|
| Molecular Weight | 567.17 g/mol |
| LogP | 0.32772 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 1 |
| Exact Mass | 567.1687 |
| Heavy Atoms | 39 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 197720-53-9 |
|---|---|
| SMILES | CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O.CS(=O)(=O)O.O.O |
| InChIKey | FXQZOHBMBQTBMJ-MWPGLPCQSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Exatecan Mesylate (CAS 197720-53-9), with molecular formula C25H30FN3O9S and molecular weight 567.17 g/mol. IUPAC: (10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanesulfonic acid;dihydrate.
Chemical Property Profile of Exatecan Mesylate
Property Insights of Exatecan Mesylate
The XLogP value of 0.32772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Exatecan Mesylate. The TPSA of 171.0 Ų indicates high polarity, suggesting Exatecan Mesylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Exatecan Mesylate has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Exatecan Mesylate?
The CAS number of Exatecan Mesylate is 197720-53-9.
What is the molecular formula of Exatecan Mesylate?
The molecular formula of Exatecan Mesylate is C25H30FN3O9S.
What is the molecular weight of Exatecan Mesylate?
The molecular weight of Exatecan Mesylate is 567.17 g/mol.
Where can I buy Exatecan Mesylate?
You can request a quote for Exatecan Mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Exatecan Mesylate?
Yes, KEHONG BIO provides custom synthesis services for Exatecan Mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.