5-methoxycamptothecin
TL;DR: 5-methoxycamptothecin (CAS 86688-38-2) is a chemical compound with molecular formula C21H18N2O5 and molecular weight 378.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
19-ethyl-19-hydroxy-12-methoxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
Also Known As: 5-methoxycamptothecin, 4-Ethyl-4-hydroxy-12-methoxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-12-methoxy-, 4-Ethyl-4-hydroxy-12-methoxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
| Molecular Formula | C21H18N2O5 |
|---|---|
| Molecular Weight | 378.12 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 89.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.12158 |
| Heavy Atoms | 28 |
| Complexity | 790.0 |
Chemical Identifiers
| CAS Number | 86688-38-2 |
|---|---|
| SMILES | CCC1(C2=C(COC1=O)C(=O)N3C(C4=CC5=CC=CC=C5N=C4C3=C2)OC)O |
| InChIKey | NNFHDMYHXQYBDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-methoxycamptothecin (CAS 86688-38-2), with molecular formula C21H18N2O5 and molecular weight 378.12 g/mol. IUPAC: 19-ethyl-19-hydroxy-12-methoxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione.
Chemical Property Profile of 5-methoxycamptothecin
Property Insights of 5-methoxycamptothecin
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methoxycamptothecin. The TPSA of 89.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methoxycamptothecin. Following Lipinski's Rule of Five, 5-methoxycamptothecin has 1 hydrogen bond donor(s) and 6 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 5-methoxycamptothecin?
The CAS number of 5-methoxycamptothecin is 86688-38-2.
What is the molecular formula of 5-methoxycamptothecin?
The molecular formula of 5-methoxycamptothecin is C21H18N2O5.
What is the molecular weight of 5-methoxycamptothecin?
The molecular weight of 5-methoxycamptothecin is 378.12 g/mol.
Where can I buy 5-methoxycamptothecin?
You can request a quote for 5-methoxycamptothecin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methoxycamptothecin?
Yes, KEHONG BIO provides custom synthesis services for 5-methoxycamptothecin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.