11-Trifluoromethyl-20(RS)-camptothecin
TL;DR: 11-Trifluoromethyl-20(RS)-camptothecin (CAS 109466-89-9) is a chemical compound with molecular formula C21H15F3N2O4 and molecular weight 416.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
19-ethyl-19-hydroxy-6-(trifluoromethyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
Also Known As: 11-Trifluoromethyl-20(RS)-camptothecin, 4-Ethyl-4-hydroxy-8-(trifluoromethyl)-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-Ethyl-4-hydroxy-8-(trifluoromethyl)-1H-pyrano[3a(2),4a(2):6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-Ethyl-4-hydroxy-8-trifluoromethyl-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione
| Molecular Formula | C21H15F3N2O4 |
|---|---|
| Molecular Weight | 416.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 416.0984 |
| Heavy Atoms | 30 |
| Complexity | 867.0 |
Chemical Identifiers
| CAS Number | 109466-89-9 |
|---|---|
| SMILES | CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C(C=CC5=C4)C(F)(F)F)O |
| InChIKey | WOSWOGASCYEFND-UHFFFAOYSA-N |
Product Overview
11-Trifluoromethyl-20(RS)-camptothecin (CAS 109466-89-9), with molecular formula C21H15F3N2O4 and molecular weight 416.10 g/mol. IUPAC: 19-ethyl-19-hydroxy-6-(trifluoromethyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione.
Chemical Property Profile of 11-Trifluoromethyl-20(RS)-camptothecin
Property Insights of 11-Trifluoromethyl-20(RS)-camptothecin
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-Trifluoromethyl-20(RS)-camptothecin. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-Trifluoromethyl-20(RS)-camptothecin. Following Lipinski's Rule of Five, 11-Trifluoromethyl-20(RS)-camptothecin has 1 hydrogen bond donor(s) and 8 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 11-Trifluoromethyl-20(RS)-camptothecin?
The CAS number of 11-Trifluoromethyl-20(RS)-camptothecin is 109466-89-9.
What is the molecular formula of 11-Trifluoromethyl-20(RS)-camptothecin?
The molecular formula of 11-Trifluoromethyl-20(RS)-camptothecin is C21H15F3N2O4.
What is the molecular weight of 11-Trifluoromethyl-20(RS)-camptothecin?
The molecular weight of 11-Trifluoromethyl-20(RS)-camptothecin is 416.10 g/mol.
Where can I buy 11-Trifluoromethyl-20(RS)-camptothecin?
You can request a quote for 11-Trifluoromethyl-20(RS)-camptothecin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Trifluoromethyl-20(RS)-camptothecin?
Yes, KEHONG BIO provides custom synthesis services for 11-Trifluoromethyl-20(RS)-camptothecin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.