Opera_ID_90
TL;DR: Opera_ID_90 (CAS 956210-94-9) is a chemical compound with molecular formula C21H16FN3O3 and molecular weight 377.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10R,11S,15R,16S)-13-(4-fluorophenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide
Also Known As: (6aR,6bS,9aR,10S)-8-(4-fluorophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide, (6aR,6bS,9aR,10S)-8-(4-Fluoro-phenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrr olo[1,2-a]quinoline-10-carboxylic acid amide, Opera_ID_90
| Molecular Formula | C21H16FN3O3 |
|---|---|
| Molecular Weight | 377.12 g/mol |
| LogP | 1.7008 |
| Topological Polar Surface Area | 83.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.11758 |
| Heavy Atoms | 28 |
| Complexity | 1049.1162 |
Chemical Identifiers
| CAS Number | 956210-94-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C[C@H]3N2[C@@H]([C@H]4[C@@H]3C(=O)N(C4=O)C5=CC=C(C=C5)F)C(=O)N |
Product Overview
Opera_ID_90 (CAS 956210-94-9), with molecular formula C21H16FN3O3 and molecular weight 377.12 g/mol. IUPAC: (10R,11S,15R,16S)-13-(4-fluorophenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide.
Chemical Property Profile of Opera_ID_90
Property Insights of Opera_ID_90
The XLogP value of 1.7008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Opera_ID_90. The TPSA of 83.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Opera_ID_90. Following Lipinski's Rule of Five, Opera_ID_90 has 1 hydrogen bond donor(s) and 4 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_90?
The CAS number of Opera_ID_90 is 956210-94-9.
What is the molecular formula of Opera_ID_90?
The molecular formula of Opera_ID_90 is C21H16FN3O3.
What is the molecular weight of Opera_ID_90?
The molecular weight of Opera_ID_90 is 377.12 g/mol.
Where can I buy Opera_ID_90?
You can request a quote for Opera_ID_90 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Opera_ID_90?
Yes, KEHONG BIO provides custom synthesis services for Opera_ID_90 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.