ChemDiv3_004087
TL;DR: ChemDiv3_004087 (CAS 445223-01-8) is a chemical compound with molecular formula C25H20N2O8 and molecular weight 476.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2'-amino-1-(2-methoxy-2-oxoethyl)-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate
Also Known As: ChemDiv3_004087, IDI1_021997, BRD-A65038532-001-01-4, ethyl 2'-amino-1-(2-methoxy-2-oxoethyl)-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate, ethyl 2'-amino-1-(2-methoxy-2-oxoethyl)-2,5'-dioxo-5'H-spiro[indoline-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate
| Molecular Formula | C25H20N2O8 |
|---|---|
| Molecular Weight | 476.12 g/mol |
| LogP | 1.7245 |
| Topological Polar Surface Area | 138.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 476.12198 |
| Heavy Atoms | 35 |
| Complexity | 1504.8328 |
Chemical Identifiers
| CAS Number | 445223-01-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C(C13C4=CC=CC=C4N(C3=O)CC(=O)OC)C(=O)OC5=CC=CC=C52)N |
Product Overview
ChemDiv3_004087 (CAS 445223-01-8), with molecular formula C25H20N2O8 and molecular weight 476.12 g/mol. IUPAC: ethyl 2'-amino-1-(2-methoxy-2-oxoethyl)-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate.
Chemical Property Profile of ChemDiv3_004087
Property Insights of ChemDiv3_004087
The XLogP value of 1.7245 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004087. The TPSA of 138.37 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004087. Following Lipinski's Rule of Five, ChemDiv3_004087 has 1 hydrogen bond donor(s) and 9 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 ChemDiv3_004087?
The CAS number of ChemDiv3_004087 is 445223-01-8.
What is the molecular formula of ChemDiv3_004087?
The molecular formula of ChemDiv3_004087 is C25H20N2O8.
What is the molecular weight of ChemDiv3_004087?
The molecular weight of ChemDiv3_004087 is 476.12 g/mol.
Where can I buy ChemDiv3_004087?
You can request a quote for ChemDiv3_004087 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004087?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004087 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.