Opera_ID_749
TL;DR: Opera_ID_749 (CAS 669719-36-2) is a chemical compound with molecular formula C24H21N3O5 and molecular weight 431.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-amino-6-methoxy-7',9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
Also Known As: 2-amino-8'-methoxy-4',4',6',7-tetramethyl-2',5-dioxo-4'H,5H-spiro[pyrano[4,3-b]pyran-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile, 2-amino-8'-methoxy-4',4',6',7-tetramethyl-2',5-dioxo-2',4'-dihydro-5H-spiro[pyrano[4,3-b]pyran-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile, Opera_ID_749
| Molecular Formula | C24H21N3O5 |
|---|---|
| Molecular Weight | 431.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 431.14813 |
| Heavy Atoms | 32 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 669719-36-2 |
|---|---|
| SMILES | CC1=CC2=C(C(=O)O1)C3(C4=CC(=CC5=C4N(C3=O)C(C=C5C)(C)C)OC)C(=C(O2)N)C#N |
| InChIKey | DJNLPGCLERZLKF-UHFFFAOYSA-N |
Product Overview
Opera_ID_749 (CAS 669719-36-2), with molecular formula C24H21N3O5 and molecular weight 431.15 g/mol. IUPAC: 2'-amino-6-methoxy-7',9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile.
Chemical Property Profile of Opera_ID_749
Property Insights of Opera_ID_749
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Opera_ID_749. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Opera_ID_749. Following Lipinski's Rule of Five, Opera_ID_749 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 Opera_ID_749?
The CAS number of Opera_ID_749 is 669719-36-2.
What is the molecular formula of Opera_ID_749?
The molecular formula of Opera_ID_749 is C24H21N3O5.
What is the molecular weight of Opera_ID_749?
The molecular weight of Opera_ID_749 is 431.15 g/mol.
Where can I buy Opera_ID_749?
You can request a quote for Opera_ID_749 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Opera_ID_749?
Yes, KEHONG BIO provides custom synthesis services for Opera_ID_749 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.