ethyl (3-hydroxy-2'-methyl-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)acetate
TL;DR: ethyl (3-hydroxy-2'-methyl-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)acetate (CAS 688038-05-3) is a chemical compound with molecular formula C21H20N2O4 and molecular weight 364.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-hydroxy-3-(2-methyl-1H-indol-3-yl)-2-oxoindol-1-yl]acetate
Also Known As: CBKinase1_005724, CBKinase1_018124, ethyl (3-hydroxy-2'-methyl-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)acetate, BRD-A15381172-001-01-4, ethyl 2-[3-hydroxy-3-(2-methylindol-3-yl)-2-oxoindolinyl]acetate
| Molecular Formula | C21H20N2O4 |
|---|---|
| Molecular Weight | 364.14 g/mol |
| LogP | 2.62192 |
| Topological Polar Surface Area | 82.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.1423 |
| Heavy Atoms | 27 |
| Complexity | 1055.2711 |
Chemical Identifiers
| CAS Number | 688038-05-3 |
|---|---|
| SMILES | CCOC(=O)CN1C2=CC=CC=C2C(C1=O)(C3=C(NC4=CC=CC=C43)C)O |
Product Overview
ethyl (3-hydroxy-2'-methyl-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)acetate (CAS 688038-05-3), with molecular formula C21H20N2O4 and molecular weight 364.14 g/mol. IUPAC: ethyl 2-[3-hydroxy-3-(2-methyl-1H-indol-3-yl)-2-oxoindol-1-yl]acetate.
Chemical Property Profile of ethyl (3-hydroxy-2'-methyl-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)acetate
Property Insights of ethyl (3-hydroxy-2'-methyl-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)acetate
The XLogP value of 2.62192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (3-hydroxy-2'-methyl-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)acetate. The TPSA of 82.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (3-hydroxy-2'-methyl-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)acetate. Following Lipinski's Rule of Five, ethyl (3-hydroxy-2'-methyl-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)acetate has 2 hydrogen bond donor(s) and 4 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 ethyl (3-hydroxy-2'-methyl-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)acetate?
The CAS number of ethyl (3-hydroxy-2'-methyl-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)acetate is 688038-05-3.
What is the molecular formula of ethyl (3-hydroxy-2'-methyl-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)acetate?
The molecular formula of ethyl (3-hydroxy-2'-methyl-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)acetate is C21H20N2O4.
What is the molecular weight of ethyl (3-hydroxy-2'-methyl-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)acetate?
The molecular weight of ethyl (3-hydroxy-2'-methyl-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)acetate is 364.14 g/mol.
Where can I buy ethyl (3-hydroxy-2'-methyl-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)acetate?
You can request a quote for ethyl (3-hydroxy-2'-methyl-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (3-hydroxy-2'-methyl-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (3-hydroxy-2'-methyl-2-oxo-2,3-dihydro-1H,1'H-3,3'-biindol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.