7-Methylthiocamptothecin
TL;DR: 7-Methylthiocamptothecin (CAS 203923-75-5) is a chemical compound with molecular formula C21H18N2O4S and molecular weight 394.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(19S)-19-ethyl-19-hydroxy-10-methylsulfanyl-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: 7-Methylthiocamptothecin, 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-11-(methylthio)-, (4S)-, 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-11-(methylthio)-, (S)-, (19S)-19-ethyl-19-hydroxy-10-methylsulfanyl-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
| Molecular Formula | C21H18N2O4S |
|---|---|
| Molecular Weight | 394.10 g/mol |
| LogP | 2.8015 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.09872 |
| Heavy Atoms | 28 |
| Complexity | 1233.2832 |
Chemical Identifiers
| CAS Number | 203923-75-5 |
|---|---|
| SMILES | CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)SC)O |
Product Overview
7-Methylthiocamptothecin (CAS 203923-75-5), with molecular formula C21H18N2O4S and molecular weight 394.10 g/mol. IUPAC: (19S)-19-ethyl-19-hydroxy-10-methylsulfanyl-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 7-Methylthiocamptothecin
Property Insights of 7-Methylthiocamptothecin
The XLogP value of 2.8015 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methylthiocamptothecin. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Methylthiocamptothecin. Following Lipinski's Rule of Five, 7-Methylthiocamptothecin 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 7-Methylthiocamptothecin?
The CAS number of 7-Methylthiocamptothecin is 203923-75-5.
What is the molecular formula of 7-Methylthiocamptothecin?
The molecular formula of 7-Methylthiocamptothecin is C21H18N2O4S.
What is the molecular weight of 7-Methylthiocamptothecin?
The molecular weight of 7-Methylthiocamptothecin is 394.10 g/mol.
Where can I buy 7-Methylthiocamptothecin?
You can request a quote for 7-Methylthiocamptothecin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methylthiocamptothecin?
Yes, KEHONG BIO provides custom synthesis services for 7-Methylthiocamptothecin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.