N-Desmethyl Topotecan
TL;DR: N-Desmethyl Topotecan (CAS 190710-79-3) is a chemical compound with molecular formula C22H21N3O5 and molecular weight 407.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(19S)-19-ethyl-7,19-dihydroxy-8-(methylaminomethyl)-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: N-Desmethyl Topotecan, N-Desmethyltopotecan, Topotecan N-Desmethyl Impurity, SK&F-105992, 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4,9-dihydroxy-10-((methylamino)methyl)-, (4S)-
| Molecular Formula | C22H21N3O5 |
|---|---|
| Molecular Weight | 407.15 g/mol |
| LogP | 1.5046 |
| Topological Polar Surface Area | 113.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.14813 |
| Heavy Atoms | 30 |
| Complexity | 1296.3982 |
Chemical Identifiers
| CAS Number | 190710-79-3 |
|---|---|
| SMILES | CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CNC)O)N=C4C3=C2)O |
Product Overview
N-Desmethyl Topotecan (CAS 190710-79-3), with molecular formula C22H21N3O5 and molecular weight 407.15 g/mol. IUPAC: (19S)-19-ethyl-7,19-dihydroxy-8-(methylaminomethyl)-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 N-Desmethyl Topotecan
Property Insights of N-Desmethyl Topotecan
The XLogP value of 1.5046 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Desmethyl Topotecan. The TPSA of 113.68 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Desmethyl Topotecan. Following Lipinski's Rule of Five, N-Desmethyl Topotecan has 3 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 N-Desmethyl Topotecan?
The CAS number of N-Desmethyl Topotecan is 190710-79-3.
What is the molecular formula of N-Desmethyl Topotecan?
The molecular formula of N-Desmethyl Topotecan is C22H21N3O5.
What is the molecular weight of N-Desmethyl Topotecan?
The molecular weight of N-Desmethyl Topotecan is 407.15 g/mol.
Where can I buy N-Desmethyl Topotecan?
You can request a quote for N-Desmethyl Topotecan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Desmethyl Topotecan?
Yes, KEHONG BIO provides custom synthesis services for N-Desmethyl Topotecan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.