C22H22N2O6
TL;DR: C22H22N2O6 (CAS 1212256-63-7) is a chemical compound with molecular formula C22H22N2O6 and molecular weight 410.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl (3S)-2'-amino-6'-methyl-2-oxo-1-prop-2-ynylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate
Also Known As: (S)-diethyl 2'-amino-6'-methyl-2-oxo-1-(prop-2-yn-1-yl)spiro[indoline-3,4'-pyran]-3',5'-dicarboxylate
| Molecular Formula | C22H22N2O6 |
|---|---|
| Molecular Weight | 410.15 g/mol |
| LogP | 1.5049 |
| Topological Polar Surface Area | 108.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.1478 |
| Heavy Atoms | 30 |
| Complexity | 990.30853 |
Chemical Identifiers
| CAS Number | 1212256-63-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C([C@]12C3=CC=CC=C3N(C2=O)CC#C)C(=O)OCC)N)C |
Product Overview
C22H22N2O6 (CAS 1212256-63-7), with molecular formula C22H22N2O6 and molecular weight 410.15 g/mol. IUPAC: diethyl (3S)-2'-amino-6'-methyl-2-oxo-1-prop-2-ynylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate.
Chemical Property Profile of C22H22N2O6
Property Insights of C22H22N2O6
The XLogP value of 1.5049 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C22H22N2O6. The TPSA of 108.16 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H22N2O6. Following Lipinski's Rule of Five, C22H22N2O6 has 1 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 C22H22N2O6?
The CAS number of C22H22N2O6 is 1212256-63-7.
What is the molecular formula of C22H22N2O6?
The molecular formula of C22H22N2O6 is C22H22N2O6.
What is the molecular weight of C22H22N2O6?
The molecular weight of C22H22N2O6 is 410.15 g/mol.
Where can I buy C22H22N2O6?
You can request a quote for C22H22N2O6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H22N2O6?
Yes, KEHONG BIO provides custom synthesis services for C22H22N2O6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.