Camptothecin-11-hexanoic acid methyl ester
TL;DR: Camptothecin-11-hexanoic acid methyl ester (CAS 89808-79-7) is a chemical compound with molecular formula C27H28N2O6 and molecular weight 476.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[(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]hexanoate
Also Known As: Camptothecin-11-hexanoic acid methyl ester, Methyl (S)-4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-11-hexanoate, 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-11-hexanoic acid, 4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-, methyl ester, (S)-, Methyl 6-(4-ethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-11-yl)hexanoate, methyl 6-[(4S)-4-ethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-11-yl]hexanoate
| Molecular Formula | C27H28N2O6 |
|---|---|
| Molecular Weight | 476.19 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 476.19473 |
| Heavy Atoms | 35 |
| Complexity | 957.0 |
Chemical Identifiers
| CAS Number | 89808-79-7 |
|---|---|
| SMILES | CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)CCCCCC(=O)OC)O |
| InChIKey | JHYVXIJVCYYUFS-MHZLTWQESA-N |
Product Overview
Camptothecin-11-hexanoic acid methyl ester (CAS 89808-79-7), with molecular formula C27H28N2O6 and molecular weight 476.19 g/mol. IUPAC: methyl 6-[(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]hexanoate.
Chemical Property Profile of Camptothecin-11-hexanoic acid methyl ester
Property Insights of Camptothecin-11-hexanoic acid methyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Camptothecin-11-hexanoic acid methyl ester. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Camptothecin-11-hexanoic acid methyl ester. Following Lipinski's Rule of Five, Camptothecin-11-hexanoic acid methyl ester 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 Camptothecin-11-hexanoic acid methyl ester?
The CAS number of Camptothecin-11-hexanoic acid methyl ester is 89808-79-7.
What is the molecular formula of Camptothecin-11-hexanoic acid methyl ester?
The molecular formula of Camptothecin-11-hexanoic acid methyl ester is C27H28N2O6.
What is the molecular weight of Camptothecin-11-hexanoic acid methyl ester?
The molecular weight of Camptothecin-11-hexanoic acid methyl ester is 476.19 g/mol.
Where can I buy Camptothecin-11-hexanoic acid methyl ester?
You can request a quote for Camptothecin-11-hexanoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Camptothecin-11-hexanoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Camptothecin-11-hexanoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.