Opera_ID_198
TL;DR: Opera_ID_198 (CAS 1164515-63-2) is a chemical compound with molecular formula C21H23N3O7 and molecular weight 429.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl (3S)-2'-amino-1-(2-amino-2-oxoethyl)-6'-methyl-2-oxospiro[indole-3,4'-pyran]-3',5'-dicarboxylate
Also Known As: (S)-diethyl 2'-amino-1-(2-amino-2-oxoethyl)-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate, diethyl (3S)-2'-amino-1-(2-amino-2-oxoethyl)-6'-methyl-2-oxospiro[indole-3,4'-pyran]-3',5'-dicarboxylate, Opera_ID_198
| Molecular Formula | C21H23N3O7 |
|---|---|
| Molecular Weight | 429.15 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.1536 |
| Heavy Atoms | 31 |
| Complexity | 878.0 |
Chemical Identifiers
| CAS Number | 1164515-63-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C([C@]12C3=CC=CC=C3N(C2=O)CC(=O)N)C(=O)OCC)N)C |
| InChIKey | OEVRZIFBORDABJ-NRFANRHFSA-N |
Product Overview
Opera_ID_198 (CAS 1164515-63-2), with molecular formula C21H23N3O7 and molecular weight 429.15 g/mol. IUPAC: diethyl (3S)-2'-amino-1-(2-amino-2-oxoethyl)-6'-methyl-2-oxospiro[indole-3,4'-pyran]-3',5'-dicarboxylate.
Chemical Property Profile of Opera_ID_198
Property Insights of Opera_ID_198
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Opera_ID_198. The TPSA of 151.0 Ų indicates high polarity, suggesting Opera_ID_198 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Opera_ID_198 has 2 hydrogen bond donor(s) and 8 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 Opera_ID_198?
The CAS number of Opera_ID_198 is 1164515-63-2.
What is the molecular formula of Opera_ID_198?
The molecular formula of Opera_ID_198 is C21H23N3O7.
What is the molecular weight of Opera_ID_198?
The molecular weight of Opera_ID_198 is 429.15 g/mol.
Where can I buy Opera_ID_198?
You can request a quote for Opera_ID_198 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Opera_ID_198?
Yes, KEHONG BIO provides custom synthesis services for Opera_ID_198 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.