RefChem:77073
TL;DR: RefChem:77073 (CAS 94465-22-2) is a chemical compound with molecular formula C28H33N3O6S and molecular weight 539.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl sulfate;trimethyl-[3-[[4-(4-methylanilino)-9,10-dioxoanthracen-1-yl]amino]propyl]azanium
Also Known As: 1-Propanaminium, 3-((9,10-dihydro-4-((4-methylphenyl)amino)-9,10-dioxo-1-anthracenyl)amino)-N,N,N-trimethyl-, methyl sulfate, 1-((4-Methylphenyl)amino)-4-((3-(trimethylammonium)propyl)amono)anthraquinone methyl sulfate, 1-Propanaminium, 3-((9,10-dihydro-4-((4-methylphenyl)amino)-9,10-dioxo-1-anthracenyl)amino)-N,N,N-trimethyl-, methyl sulfate (1:1), 1-Propanaminium, 3-[[9,10-dihydro-4-[(4-methylphenyl)amino]-9,10-dioxo-1-anthracenyl]amino]-N,N,N-trimethyl-, methyl sulfate (1:1), n,n,n-trimethyl-3-({4-[(4-methylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)propan-1-aminium methyl sulfate
| Molecular Formula | C28H33N3O6S |
|---|---|
| Molecular Weight | 539.21 g/mol |
| LogP | 4.11522 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 539.209 |
| Heavy Atoms | 38 |
| Complexity | 755.0 |
Chemical Identifiers
| CAS Number | 94465-22-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NCCC[N+](C)(C)C)C(=O)C4=CC=CC=C4C3=O.COS(=O)(=O)[O-] |
| InChIKey | BFJXZOJYPWMIAI-UHFFFAOYSA-N |
Product Overview
RefChem:77073 (CAS 94465-22-2), with molecular formula C28H33N3O6S and molecular weight 539.21 g/mol. IUPAC: methyl sulfate;trimethyl-[3-[[4-(4-methylanilino)-9,10-dioxoanthracen-1-yl]amino]propyl]azanium.
Chemical Property Profile of RefChem:77073
Property Insights of RefChem:77073
The XLogP value of 4.11522 indicates that RefChem:77073 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:77073. Following Lipinski's Rule of Five, RefChem:77073 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:77073?
The CAS number of RefChem:77073 is 94465-22-2.
What is the molecular formula of RefChem:77073?
The molecular formula of RefChem:77073 is C28H33N3O6S.
What is the molecular weight of RefChem:77073?
The molecular weight of RefChem:77073 is 539.21 g/mol.
Where can I buy RefChem:77073?
You can request a quote for RefChem:77073 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:77073?
Yes, KEHONG BIO provides custom synthesis services for RefChem:77073 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.