RefChem:311418
TL;DR: RefChem:311418 (CAS 62206-20-6) is a chemical compound with molecular formula C25H21Br2ClN2O2 and molecular weight 573.9658 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(4-bromophenyl)-2-chloro-12,13-dimethoxy-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide
Also Known As: 7H-Isoquino(2,1-d)(1,4)benzodiazepin-8-ium, 9,10-dihydro-6-(p-bromophenyl)-2-chloro-12,13-dimethoxy-, bromide, 7H-ISOQUINO(2,1-d)(1,4)BENZODIAZEPIN-8-IUM, 9,10-DIHYDRO-6-(p-BROMOPHENYL)-2-CHL, 6-(4-bromophenyl)-2-chloro-12,13-dimethoxy-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide
Technical Specifications
| Molecular Formula | C25H21Br2ClN2O2 |
| Molecular Weight | 573.9658 g/mol |
| XLogP | 2.66 |
| Topological Polar Surface Area (TPSA) | 33.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 575.9638 Da |
| Heavy Atoms | 32 |
| Complexity | 720.0 |
| SMILES | COC1=C(C=C2C(=C1)CC[N+]3=C2C4=C(C=CC(=C4)Cl)N=C(C3)C5=CC=C(C=C5)Br)OC.[Br-] |
| InChIKey | MQXKEHUQURUIIH-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:311418
Property Insights of RefChem:311418
The XLogP value of 2.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:311418. With a topological polar surface area (TPSA) of 33.8 Ų, RefChem:311418 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:311418 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:311418?
The CAS number of RefChem:311418 is 62206-20-6.
What is the molecular formula of RefChem:311418?
The molecular formula of RefChem:311418 is C25H21Br2ClN2O2.
What is the molecular weight of RefChem:311418?
The molecular weight of RefChem:311418 is 573.9658 g/mol.
Where can I buy RefChem:311418?
You can request a quote for RefChem:311418 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:311418?
Yes, CoreyChem provides custom synthesis services for RefChem:311418 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.