Exatecan
TL;DR: Exatecan (CAS 169869-90-3) is a chemical compound with molecular formula C24H22FN3O4 and molecular weight 435.16 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
Also Known As: Exatecan, Exatecan mesylate, Exatecan [INN], exatecan-mesylate, Exatecan free base
| Molecular Formula | C24H22FN3O4 |
|---|---|
| Molecular Weight | 435.16 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 435.15942 |
| Heavy Atoms | 32 |
| Complexity | 950.0 |
Chemical Identifiers
| CAS Number | 169869-90-3 |
|---|---|
| SMILES | CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O |
| InChIKey | ZVYVPGLRVWUPMP-FYSMJZIKSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Exatecan (CAS 169869-90-3), with molecular formula C24H22FN3O4 and molecular weight 435.16 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.
Chemical Property Profile of Exatecan
Property Insights of Exatecan
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Exatecan. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Exatecan. Following Lipinski's Rule of Five, Exatecan has 2 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 Exatecan?
The CAS number of Exatecan is 169869-90-3.
What is the molecular formula of Exatecan?
The molecular formula of Exatecan is C24H22FN3O4.
What is the molecular weight of Exatecan?
The molecular weight of Exatecan is 435.16 g/mol.
Where can I buy Exatecan?
You can request a quote for Exatecan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Exatecan?
Yes, KEHONG BIO provides custom synthesis services for Exatecan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.