RefChem:77072
TL;DR: RefChem:77072 (CAS 93085-73-5) is a chemical compound with molecular formula C21H26BrN3O6S and molecular weight 527.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)amino]propyl-trimethylazanium;methyl sulfate
Also Known As: 3-[amino]propyltrimethylammoniummethylsulphate, 3-[ amino]propyltrimethylammoniummethylsulphate, (3-((4-Amino-3-bromo-1-anthraquinonyl)amino)propyl)trimethylammonium methyl sulfate, 1-Propanaminium, 3-((4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-N,N,N-trimethyl-, methyl sulfate, 1-Propanaminium, 3-((4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-N,N,N-trimethyl-, methyl sulfate (1:1)
| Molecular Formula | C21H26BrN3O6S |
|---|---|
| Molecular Weight | 527.07 g/mol |
| LogP | 2.4079 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 527.0726 |
| Heavy Atoms | 32 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 93085-73-5 |
|---|---|
| SMILES | C[N+](C)(C)CCCNC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)Br.COS(=O)(=O)[O-] |
| InChIKey | BCNZBZUJWPWUFE-UHFFFAOYSA-N |
Product Overview
RefChem:77072 (CAS 93085-73-5), with molecular formula C21H26BrN3O6S and molecular weight 527.07 g/mol. IUPAC: 3-[(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)amino]propyl-trimethylazanium;methyl sulfate.
Chemical Property Profile of RefChem:77072
Property Insights of RefChem:77072
The XLogP value of 2.4079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:77072. The TPSA of 147.0 Ų indicates high polarity, suggesting RefChem:77072 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:77072 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:77072?
The CAS number of RefChem:77072 is 93085-73-5.
What is the molecular formula of RefChem:77072?
The molecular formula of RefChem:77072 is C21H26BrN3O6S.
What is the molecular weight of RefChem:77072?
The molecular weight of RefChem:77072 is 527.07 g/mol.
Where can I buy RefChem:77072?
You can request a quote for RefChem:77072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:77072?
Yes, KEHONG BIO provides custom synthesis services for RefChem:77072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.