![methyl 6-tert-butyl-3-[(1S)-1-cyano-2-methoxy-2-oxoethyl]indole-1-carboxylate structure](/static/products/200/20045-62-9.png)
methyl 6-tert-butyl-3-[(1S)-1-cyano-2-methoxy-2-oxoethyl]indole-1-carboxylate
TL;DR: methyl 6-tert-butyl-3-[(1S)-1-cyano-2-methoxy-2-oxoethyl]indole-1-carboxylate (CAS 20045-62-9) is a chemical compound with molecular formula C18H20N2O4 and molecular weight 328.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-tert-butyl-3-[(1S)-1-cyano-2-methoxy-2-oxoethyl]indole-1-carboxylate
Also Known As: Methyl 3-[(S)-cyano-methoxycarbonyl-methyl]-6-tert-butyl-indole-1-carboxylate, methyl 6-tert-butyl-3-[(1S)-1-cyano-2-methoxy-2-oxoethyl]indole-1-carboxylate
| Molecular Formula | C18H20N2O4 |
|---|---|
| Molecular Weight | 328.14 g/mol |
| LogP | 3.33348 |
| Topological Polar Surface Area | 81.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.1423 |
| Heavy Atoms | 24 |
| Complexity | 837.0464 |
Chemical Identifiers
| CAS Number | 20045-62-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)C(=CN2C(=O)OC)[C@@H](C#N)C(=O)OC |
Product Overview
methyl 6-tert-butyl-3-[(1S)-1-cyano-2-methoxy-2-oxoethyl]indole-1-carboxylate (CAS 20045-62-9), with molecular formula C18H20N2O4 and molecular weight 328.14 g/mol. IUPAC: methyl 6-tert-butyl-3-[(1S)-1-cyano-2-methoxy-2-oxoethyl]indole-1-carboxylate.
Chemical Property Profile of methyl 6-tert-butyl-3-[(1S)-1-cyano-2-methoxy-2-oxoethyl]indole-1-carboxylate
Property Insights of methyl 6-tert-butyl-3-[(1S)-1-cyano-2-methoxy-2-oxoethyl]indole-1-carboxylate
The XLogP value of 3.33348 indicates that methyl 6-tert-butyl-3-[(1S)-1-cyano-2-methoxy-2-oxoethyl]indole-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.32 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6-tert-butyl-3-[(1S)-1-cyano-2-methoxy-2-oxoethyl]indole-1-carboxylate. Following Lipinski's Rule of Five, methyl 6-tert-butyl-3-[(1S)-1-cyano-2-methoxy-2-oxoethyl]indole-1-carboxylate has 0 hydrogen bond donor(s) and 5 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 methyl 6-tert-butyl-3-[(1S)-1-cyano-2-methoxy-2-oxoethyl]indole-1-carboxylate?
The CAS number of methyl 6-tert-butyl-3-[(1S)-1-cyano-2-methoxy-2-oxoethyl]indole-1-carboxylate is 20045-62-9.
What is the molecular formula of methyl 6-tert-butyl-3-[(1S)-1-cyano-2-methoxy-2-oxoethyl]indole-1-carboxylate?
The molecular formula of methyl 6-tert-butyl-3-[(1S)-1-cyano-2-methoxy-2-oxoethyl]indole-1-carboxylate is C18H20N2O4.
What is the molecular weight of methyl 6-tert-butyl-3-[(1S)-1-cyano-2-methoxy-2-oxoethyl]indole-1-carboxylate?
The molecular weight of methyl 6-tert-butyl-3-[(1S)-1-cyano-2-methoxy-2-oxoethyl]indole-1-carboxylate is 328.14 g/mol.
Where can I buy methyl 6-tert-butyl-3-[(1S)-1-cyano-2-methoxy-2-oxoethyl]indole-1-carboxylate?
You can request a quote for methyl 6-tert-butyl-3-[(1S)-1-cyano-2-methoxy-2-oxoethyl]indole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 6-tert-butyl-3-[(1S)-1-cyano-2-methoxy-2-oxoethyl]indole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-tert-butyl-3-[(1S)-1-cyano-2-methoxy-2-oxoethyl]indole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.