C27H31N7O.2Br
TL;DR: C27H31N7O.2Br (CAS 81944-15-2) is a chemical compound with molecular formula C27H31Br2N7O and molecular weight 627.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(6-amino-1-methylquinolin-1-ium-4-yl)amino]phenyl]-4-(1-methylpyridin-1-ium-4-yl)piperazine-1-carboxamide dibromide
Also Known As: SN 8305, Quinolinium, 6-amino-1-methyl-4-((4-(((4-(1-methylpyridinium-4-yl)-1-piperazinyl)carbonyl)amino)phenyl)amino)-, dibromide, N-[4-[(6-amino-1-methylquinolin-1-ium-4-yl)amino]phenyl]-4-(1-methylpyridin-1-ium-4-yl)piperazine-1-carboxamide dibromide
| Molecular Formula | C27H31Br2N7O |
|---|---|
| Molecular Weight | 627.10 g/mol |
| LogP | -2.8233 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 627.0957 |
| Heavy Atoms | 37 |
| Complexity | 683.0 |
Chemical Identifiers
| CAS Number | 81944-15-2 |
|---|---|
| SMILES | C[N+]1=CC=C(C=C1)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)NC4=C5C=C(C=CC5=[N+](C=C4)C)N.[Br-].[Br-] |
| InChIKey | ZUHJSILZGJJLIK-UHFFFAOYSA-N |
Product Overview
C27H31N7O.2Br (CAS 81944-15-2), with molecular formula C27H31Br2N7O and molecular weight 627.10 g/mol. IUPAC: N-[4-[(6-amino-1-methylquinolin-1-ium-4-yl)amino]phenyl]-4-(1-methylpyridin-1-ium-4-yl)piperazine-1-carboxamide dibromide.
Chemical Property Profile of C27H31N7O.2Br
Property Insights of C27H31N7O.2Br
The XLogP value of -2.8233 indicates that C27H31N7O.2Br is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for C27H31N7O.2Br. Following Lipinski's Rule of Five, C27H31N7O.2Br has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C27H31N7O.2Br?
The CAS number of C27H31N7O.2Br is 81944-15-2.
What is the molecular formula of C27H31N7O.2Br?
The molecular formula of C27H31N7O.2Br is C27H31Br2N7O.
What is the molecular weight of C27H31N7O.2Br?
The molecular weight of C27H31N7O.2Br is 627.10 g/mol.
Where can I buy C27H31N7O.2Br?
You can request a quote for C27H31N7O.2Br directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H31N7O.2Br?
Yes, KEHONG BIO provides custom synthesis services for C27H31N7O.2Br and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.