ChemDiv1_002452
TL;DR: ChemDiv1_002452 (CAS 313381-78-1) is a chemical compound with molecular formula C24H22N2O6 and molecular weight 434.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O'-benzyl 5-O'-ethyl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
Also Known As: ChemDiv1_002452, BAS 01108228, AB00093227-01, A1284/0058598, 3'-benzyl 5'-ethyl 2'-amino-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate
| Molecular Formula | C24H22N2O6 |
|---|---|
| Molecular Weight | 434.15 g/mol |
| LogP | 2.6575 |
| Topological Polar Surface Area | 116.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.1478 |
| Heavy Atoms | 32 |
| Complexity | 1168.0217 |
Chemical Identifiers
| CAS Number | 313381-78-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C12C3=CC=CC=C3NC2=O)C(=O)OCC4=CC=CC=C4)N)C |
Product Overview
ChemDiv1_002452 (CAS 313381-78-1), with molecular formula C24H22N2O6 and molecular weight 434.15 g/mol. IUPAC: 3-O'-benzyl 5-O'-ethyl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate.
Chemical Property Profile of ChemDiv1_002452
Property Insights of ChemDiv1_002452
The XLogP value of 2.6575 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_002452. The TPSA of 116.95 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002452. Following Lipinski's Rule of Five, ChemDiv1_002452 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_002452?
The CAS number of ChemDiv1_002452 is 313381-78-1.
What is the molecular formula of ChemDiv1_002452?
The molecular formula of ChemDiv1_002452 is C24H22N2O6.
What is the molecular weight of ChemDiv1_002452?
The molecular weight of ChemDiv1_002452 is 434.15 g/mol.
Where can I buy ChemDiv1_002452?
You can request a quote for ChemDiv1_002452 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002452?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002452 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.