NCI60_037618
TL;DR: NCI60_037618 (CAS 202391-96-6) is a chemical compound with molecular formula C22H27NO7S and molecular weight 449.15082 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylsulfanyl-7a-hydroxy-2,5-dioxo-3,4-dihydroindole-3a-carboxylate
Also Known As: NCI60_037618, Methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-(ethylthio)-1,2,3,4,5,7a-hexahydro-7a-hydroxy-2,5-dioxo-3aH-indole-3a-carboxylate, methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylsulfanyl-7a-hydroxy-2,5-dioxo-3,4-dihydroindole-3a-carboxylate
Technical Specifications
| Molecular Formula | C22H27NO7S |
| Molecular Weight | 449.15082 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 128.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 449.15082 Da |
| Heavy Atoms | 31 |
| Complexity | 756.0 |
| SMILES | CCSC1=CC2(C(CC1=O)(CC(=O)N2CCC3=CC(=C(C=C3)OC)OC)C(=O)OC)O |
| InChIKey | SVESEITYASXFEY-UHFFFAOYSA-N |
Chemical Property Profile of NCI60_037618
Property Insights of NCI60_037618
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_037618. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_037618. Following Lipinski's Rule of Five, NCI60_037618 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of NCI60_037618?
The CAS number of NCI60_037618 is 202391-96-6.
What is the molecular formula of NCI60_037618?
The molecular formula of NCI60_037618 is C22H27NO7S.
What is the molecular weight of NCI60_037618?
The molecular weight of NCI60_037618 is 449.15082 g/mol.
Where can I buy NCI60_037618?
You can request a quote for NCI60_037618 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for NCI60_037618?
Yes, CoreyChem provides custom synthesis services for NCI60_037618 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.