ChemDiv2_003944
TL;DR: ChemDiv2_003944 (CAS 442566-92-9) is a chemical compound with molecular formula C21H22N2O5 and molecular weight 382.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(2-amino-2-oxoethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate
Also Known As: ChemDiv2_003944, IDI1_002659, BAS 06104020, ethyl 5-(2-amino-2-oxoethoxy)-1-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxylate, ethyl 5-(carbamoylmethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate
| Molecular Formula | C21H22N2O5 |
|---|---|
| Molecular Weight | 382.15 g/mol |
| LogP | 2.98832 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.15286 |
| Heavy Atoms | 28 |
| Complexity | 1021.44714 |
Chemical Identifiers
| CAS Number | 442566-92-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(=O)N)C3=CC=C(C=C3)OC)C |
Product Overview
ChemDiv2_003944 (CAS 442566-92-9), with molecular formula C21H22N2O5 and molecular weight 382.15 g/mol. IUPAC: ethyl 5-(2-amino-2-oxoethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate.
Chemical Property Profile of ChemDiv2_003944
Property Insights of ChemDiv2_003944
The XLogP value of 2.98832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_003944. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_003944. Following Lipinski's Rule of Five, ChemDiv2_003944 has 1 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 ChemDiv2_003944?
The CAS number of ChemDiv2_003944 is 442566-92-9.
What is the molecular formula of ChemDiv2_003944?
The molecular formula of ChemDiv2_003944 is C21H22N2O5.
What is the molecular weight of ChemDiv2_003944?
The molecular weight of ChemDiv2_003944 is 382.15 g/mol.
Where can I buy ChemDiv2_003944?
You can request a quote for ChemDiv2_003944 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_003944?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_003944 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.