RefChem:311415
TL;DR: RefChem:311415 (CAS 82808-81-9) is a chemical compound with molecular formula C26H24BrClN2O2 and molecular weight 510.07 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-methylphenyl)-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-3-chloro-12,13-dimethoxy-6-(p-tolyl)-, bromide, 3-chloro-12,13-dimethoxy-6-(4-methylphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide, 3-chloro-12,13-dimethoxy-6-(4-methylphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium,bromide, RefChem:311415
| Molecular Formula | C26H24BrClN2O2 |
|---|---|
| Molecular Weight | 510.07 g/mol |
| LogP | 2.21 |
| Topological Polar Surface Area | 33.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 510.07098 |
| Heavy Atoms | 32 |
| Complexity | 714.0 |
Chemical Identifiers
| CAS Number | 82808-81-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)C4=[N+](C2)CCC5=CC(=C(C=C54)OC)OC.[Br-] |
| InChIKey | RYTHUUOLSOEIDG-UHFFFAOYSA-M |
Product Overview
RefChem:311415 (CAS 82808-81-9), with molecular formula C26H24BrClN2O2 and molecular weight 510.07 g/mol. IUPAC: 3-chloro-12,13-dimethoxy-6-(4-methylphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide.
Chemical Property Profile of RefChem:311415
Property Insights of RefChem:311415
The XLogP value of 2.21 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:311415. With a topological polar surface area (TPSA) of 33.8 Ų, RefChem:311415 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:311415 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:311415?
The CAS number of RefChem:311415 is 82808-81-9.
What is the molecular formula of RefChem:311415?
The molecular formula of RefChem:311415 is C26H24BrClN2O2.
What is the molecular weight of RefChem:311415?
The molecular weight of RefChem:311415 is 510.07 g/mol.
Where can I buy RefChem:311415?
You can request a quote for RefChem:311415 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:311415?
Yes, KEHONG BIO provides custom synthesis services for RefChem:311415 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.