topotecan
TL;DR: topotecan (CAS 123948-87-8) is a chemical compound with molecular formula C23H23N3O5 and molecular weight 421.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
Also Known As: topotecan, Topotecan-d6, Topotecan-d5, Topotecan Hcl, Hycamtin;
| Molecular Formula | C23H23N3O5 |
|---|---|
| Molecular Weight | 421.16 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.16376 |
| Heavy Atoms | 31 |
| Complexity | 867.0 |
Chemical Identifiers
| CAS Number | 123948-87-8 |
|---|---|
| SMILES | CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O |
| InChIKey | UCFGDBYHRUNTLO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
topotecan (CAS 123948-87-8), with molecular formula C23H23N3O5 and molecular weight 421.16 g/mol. IUPAC: 8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione.
Chemical Property Profile of topotecan
Property Insights of topotecan
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for topotecan. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for topotecan. Following Lipinski's Rule of Five, topotecan 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 topotecan?
The CAS number of topotecan is 123948-87-8.
What is the molecular formula of topotecan?
The molecular formula of topotecan is C23H23N3O5.
What is the molecular weight of topotecan?
The molecular weight of topotecan is 421.16 g/mol.
Where can I buy topotecan?
You can request a quote for topotecan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for topotecan?
Yes, KEHONG BIO provides custom synthesis services for topotecan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.