C21H15BrN2O3
TL;DR: C21H15BrN2O3 (CAS 1212429-73-6) is a chemical compound with molecular formula C21H15BrN2O3 and molecular weight 422.0266 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,11S,12R,16S)-11-(4-bromobenzoyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
Also Known As: (8S,8aR,11aS,11bS)-8-(4-bromobenzoyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione, (8S,8aR,11aS,11bS)-8-[(4-bromophenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Technical Specifications
| Molecular Formula | C21H15BrN2O3 |
| Molecular Weight | 422.0266 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 422.0266 Da |
| Heavy Atoms | 27 |
| Complexity | 700.0 |
| SMILES | C1=CC=C2[C@@H]3[C@@H]4[C@H]([C@H](N3C=CC2=C1)C(=O)C5=CC=C(C=C5)Br)C(=O)NC4=O |
| InChIKey | PKMLOWTZPCFGRH-MLHJIOFPSA-N |
Chemical Property Profile of C21H15BrN2O3
Property Insights of C21H15BrN2O3
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C21H15BrN2O3. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H15BrN2O3. Following Lipinski's Rule of Five, C21H15BrN2O3 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
What is the CAS number of C21H15BrN2O3?
The CAS number of C21H15BrN2O3 is 1212429-73-6.
What is the molecular formula of C21H15BrN2O3?
The molecular formula of C21H15BrN2O3 is C21H15BrN2O3.
What is the molecular weight of C21H15BrN2O3?
The molecular weight of C21H15BrN2O3 is 422.0266 g/mol.
Where can I buy C21H15BrN2O3?
You can request a quote for C21H15BrN2O3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C21H15BrN2O3?
Yes, CoreyChem provides custom synthesis services for C21H15BrN2O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.