8,9-Dimethoxycamptothecin
TL;DR: 8,9-Dimethoxycamptothecin (CAS 104155-88-6) is a chemical compound with molecular formula C22H20N2O6 and molecular weight 408.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
19-ethyl-19-hydroxy-6,7-dimethoxy-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: 8,9-Dimethoxycamptothecin, Phenol,tribromoethylmethyl, ethyl-hydroxy-dimethoxy-[?]dione, 10,11-Dimethoxy-20(RS)camptothecin, NCI60_002854
| Molecular Formula | C22H20N2O6 |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.13214 |
| Heavy Atoms | 30 |
| Complexity | 837.0 |
Chemical Identifiers
| CAS Number | 104155-88-6 |
|---|---|
| SMILES | CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C(C(=CC5=C4)OC)OC)O |
| InChIKey | IYAQFMAQDYIFSH-UHFFFAOYSA-N |
Product Overview
8,9-Dimethoxycamptothecin (CAS 104155-88-6), with molecular formula C22H20N2O6 and molecular weight 408.13 g/mol. IUPAC: 19-ethyl-19-hydroxy-6,7-dimethoxy-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 8,9-Dimethoxycamptothecin
Property Insights of 8,9-Dimethoxycamptothecin
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8,9-Dimethoxycamptothecin. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 8,9-Dimethoxycamptothecin. Following Lipinski's Rule of Five, 8,9-Dimethoxycamptothecin has 1 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 8,9-Dimethoxycamptothecin?
The CAS number of 8,9-Dimethoxycamptothecin is 104155-88-6.
What is the molecular formula of 8,9-Dimethoxycamptothecin?
The molecular formula of 8,9-Dimethoxycamptothecin is C22H20N2O6.
What is the molecular weight of 8,9-Dimethoxycamptothecin?
The molecular weight of 8,9-Dimethoxycamptothecin is 408.13 g/mol.
Where can I buy 8,9-Dimethoxycamptothecin?
You can request a quote for 8,9-Dimethoxycamptothecin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8,9-Dimethoxycamptothecin?
Yes, KEHONG BIO provides custom synthesis services for 8,9-Dimethoxycamptothecin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.