ChemDiv1_010682
TL;DR: ChemDiv1_010682 (CAS 304869-96-3) is a chemical compound with molecular formula C21H24N2O6 and molecular weight 400.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O'-tert-butyl 3-O'-ethyl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
Also Known As: ChemDiv1_010682, AB00093271-01, A0843/0039526, 5'-tert-butyl 3'-ethyl 2'-amino-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate, 5'-tert-butyl 3'-ethyl 2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate
| Molecular Formula | C21H24N2O6 |
|---|---|
| Molecular Weight | 400.16 g/mol |
| LogP | 2.2558 |
| Topological Polar Surface Area | 116.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.16342 |
| Heavy Atoms | 29 |
| Complexity | 969.62854 |
Chemical Identifiers
| CAS Number | 304869-96-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C12C3=CC=CC=C3NC2=O)C(=O)OC(C)(C)C)C)N |
Product Overview
ChemDiv1_010682 (CAS 304869-96-3), with molecular formula C21H24N2O6 and molecular weight 400.16 g/mol. IUPAC: 5-O'-tert-butyl 3-O'-ethyl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate.
Chemical Property Profile of ChemDiv1_010682
Property Insights of ChemDiv1_010682
The XLogP value of 2.2558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_010682. The TPSA of 116.95 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010682. Following Lipinski's Rule of Five, ChemDiv1_010682 has 2 hydrogen bond donor(s) and 7 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 ChemDiv1_010682?
The CAS number of ChemDiv1_010682 is 304869-96-3.
What is the molecular formula of ChemDiv1_010682?
The molecular formula of ChemDiv1_010682 is C21H24N2O6.
What is the molecular weight of ChemDiv1_010682?
The molecular weight of ChemDiv1_010682 is 400.16 g/mol.
Where can I buy ChemDiv1_010682?
You can request a quote for ChemDiv1_010682 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010682?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010682 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.