11-Propanoyloxymethylcamptothecin
TL;DR: 11-Propanoyloxymethylcamptothecin (CAS 78311-38-3) is a chemical compound with molecular formula C24H22N2O6 and molecular weight 434.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl propanoate
Also Known As: 11-Propanoyloxymethylcamptothecin, 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-11-((1-oxopropoxy)methyl)-, (S)-, (S)-4-Ethyl-4-hydroxy-11-((1-oxopropoxy)methyl)-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, Pyridazine, 3-hydrazino-6-(2-methyl-1-imidazolyl)-, dihydrochloride, [(19S)-19-ethyl-19-hydroxy-14,18-dioxo-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)-heptaen-10-yl]methyl propanoate
| Molecular Formula | C24H22N2O6 |
|---|---|
| Molecular Weight | 434.15 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.1478 |
| Heavy Atoms | 32 |
| Complexity | 910.0 |
Chemical Identifiers
| CAS Number | 78311-38-3 |
|---|---|
| SMILES | CCC(=O)OCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=CC=CC=C51 |
| InChIKey | QTWVTZDUCWLGHN-DEOSSOPVSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
11-Propanoyloxymethylcamptothecin (CAS 78311-38-3), with molecular formula C24H22N2O6 and molecular weight 434.15 g/mol. IUPAC: [(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methyl propanoate.
Chemical Property Profile of 11-Propanoyloxymethylcamptothecin
Property Insights of 11-Propanoyloxymethylcamptothecin
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-Propanoyloxymethylcamptothecin. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-Propanoyloxymethylcamptothecin. Following Lipinski's Rule of Five, 11-Propanoyloxymethylcamptothecin 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 11-Propanoyloxymethylcamptothecin?
The CAS number of 11-Propanoyloxymethylcamptothecin is 78311-38-3.
What is the molecular formula of 11-Propanoyloxymethylcamptothecin?
The molecular formula of 11-Propanoyloxymethylcamptothecin is C24H22N2O6.
What is the molecular weight of 11-Propanoyloxymethylcamptothecin?
The molecular weight of 11-Propanoyloxymethylcamptothecin is 434.15 g/mol.
Where can I buy 11-Propanoyloxymethylcamptothecin?
You can request a quote for 11-Propanoyloxymethylcamptothecin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Propanoyloxymethylcamptothecin?
Yes, KEHONG BIO provides custom synthesis services for 11-Propanoyloxymethylcamptothecin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.