RefChem:311417
TL;DR: RefChem:311417 (CAS 82802-96-8) is a chemical compound with molecular formula C31H26BrClN2O2 and molecular weight 572.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-12,13-dimethoxy-6-(4-phenylphenyl)-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-(4-biphenylyl)-3-chloro-12,13-dimethoxy-, bromide, 7H-Isoquino[2,1-d][1,4]benzodiazepin-8-ium,6-[1,1'-biphenyl]-4-yl-3-chloro-9,10-dihydro-12,13-dimethoxy-, bromide (9CI), 7H-ISOQUINO(2,1-d)(1,4)BENZODIAZEPIN-8-IUM, 9,10-DIHYDRO-6-(4-BIPHENYLYL)-3-CHLO, 3-chloro-12,13-dimethoxy-6-(4-phenylphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide, 3-chloro-12,13-dimethoxy-6-(4-phenylphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium,bromide
| Molecular Formula | C31H26BrClN2O2 |
|---|---|
| Molecular Weight | 572.09 g/mol |
| LogP | 3.57 |
| Topological Polar Surface Area | 33.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 572.0866 |
| Heavy Atoms | 37 |
| Complexity | 828.0 |
Chemical Identifiers
| CAS Number | 82802-96-8 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CC[N+]3=C2C4=C(C=C(C=C4)Cl)N=C(C3)C5=CC=C(C=C5)C6=CC=CC=C6)OC.[Br-] |
| InChIKey | FMJSKFOEZPHCAC-UHFFFAOYSA-M |
Product Overview
RefChem:311417 (CAS 82802-96-8), with molecular formula C31H26BrClN2O2 and molecular weight 572.09 g/mol. IUPAC: 3-chloro-12,13-dimethoxy-6-(4-phenylphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide.
Chemical Property Profile of RefChem:311417
Property Insights of RefChem:311417
The XLogP value of 3.57 indicates that RefChem:311417 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.8 Ų, RefChem:311417 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:311417 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:311417?
The CAS number of RefChem:311417 is 82802-96-8.
What is the molecular formula of RefChem:311417?
The molecular formula of RefChem:311417 is C31H26BrClN2O2.
What is the molecular weight of RefChem:311417?
The molecular weight of RefChem:311417 is 572.09 g/mol.
Where can I buy RefChem:311417?
You can request a quote for RefChem:311417 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:311417?
Yes, KEHONG BIO provides custom synthesis services for RefChem:311417 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.