![tert-butyl 3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indole-1-carboxylate structure](/static/products/6918/691858-16-9.webp)
tert-butyl 3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indole-1-carboxylate
TL;DR: tert-butyl 3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indole-1-carboxylate (CAS 691858-16-9) is a chemical compound with molecular formula C22H20N2O3 and molecular weight 360.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indole-1-carboxylate
Also Known As: 10R-0649, tert-butyl 3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indole-1-carboxylate, tert-butyl 3-[(2-oxo-1,2-dihydro-3H-indol-3-yliden)methyl]-1H-indole-1-carboxylate, tert-butyl 3-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-indole-1-carboxylate, tert-butyl3-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-indole-1-carboxylate
| Molecular Formula | C22H20N2O3 |
|---|---|
| Molecular Weight | 360.15 g/mol |
| LogP | 4.9172 |
| Topological Polar Surface Area | 60.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 360.1474 |
| Heavy Atoms | 27 |
| Complexity | 1100.1885 |
Chemical Identifiers
| CAS Number | 691858-16-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)/C=C\3/C4=CC=CC=C4NC3=O |
Product Overview
tert-butyl 3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indole-1-carboxylate (CAS 691858-16-9), with molecular formula C22H20N2O3 and molecular weight 360.15 g/mol. IUPAC: tert-butyl 3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indole-1-carboxylate.
Chemical Property Profile of tert-butyl 3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indole-1-carboxylate
Property Insights of tert-butyl 3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indole-1-carboxylate
The XLogP value of 4.9172 indicates that tert-butyl 3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indole-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.33 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl 3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indole-1-carboxylate. Following Lipinski's Rule of Five, tert-butyl 3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indole-1-carboxylate has 1 hydrogen bond donor(s) and 3 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 tert-butyl 3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indole-1-carboxylate?
The CAS number of tert-butyl 3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indole-1-carboxylate is 691858-16-9.
What is the molecular formula of tert-butyl 3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indole-1-carboxylate?
The molecular formula of tert-butyl 3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indole-1-carboxylate is C22H20N2O3.
What is the molecular weight of tert-butyl 3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indole-1-carboxylate?
The molecular weight of tert-butyl 3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indole-1-carboxylate is 360.15 g/mol.
Where can I buy tert-butyl 3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indole-1-carboxylate?
You can request a quote for tert-butyl 3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]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 tert-butyl 3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl 3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.