RefChem:311412
TL;DR: RefChem:311412 (CAS 74099-05-1) is a chemical compound with molecular formula C21H22BrClN2O3 and molecular weight 464.05023 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-7-ethyl-12,13-dimethoxy-5,7,9,10-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-8-ium-6-one bromide
Also Known As: 7H-Isoquino(2,1-d)(1,4)benzodiazepin-8-ium, 6,7,9,10-tetrahydro-2-chloro-12,13-dimethoxy-7-ethyl-6-oxo-, bromide, 2-chloro-7-ethyl-12,13-dimethoxy-5,7,9,10-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-8-ium-6-one bromide, 7H-ISOQUINO(2,1-d)(1,4)BENZODIAZEPIN-8-IUM, 6,7,9,10-TETRAHYDRO-2-CHLORO-12,13-D
Technical Specifications
| Molecular Formula | C21H22BrClN2O3 |
| Molecular Weight | 464.05023 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 464.05023 Da |
| Heavy Atoms | 28 |
| Complexity | 610.0 |
| SMILES | CCC1C(=O)NC2=C(C=C(C=C2)Cl)C3=[N+]1CCC4=CC(=C(C=C43)OC)OC.[Br-] |
| InChIKey | UJFGIZLCPFFBGQ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:311412
Property Insights of RefChem:311412
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:311412. With a topological polar surface area (TPSA) of 50.6 Ų, RefChem:311412 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:311412 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 RefChem:311412?
The CAS number of RefChem:311412 is 74099-05-1.
What is the molecular formula of RefChem:311412?
The molecular formula of RefChem:311412 is C21H22BrClN2O3.
What is the molecular weight of RefChem:311412?
The molecular weight of RefChem:311412 is 464.05023 g/mol.
Where can I buy RefChem:311412?
You can request a quote for RefChem:311412 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:311412?
Yes, CoreyChem provides custom synthesis services for RefChem:311412 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.