RefChem:117642
TL;DR: RefChem:117642 (CAS 35402-38-1) is a chemical compound with molecular formula C29H34ClN3O2 and molecular weight 491.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[3-[[9,10-dioxo-4-(propan-2-ylamino)anthracen-1-yl]amino]propyl]-dimethylazanium chloride
Also Known As: Benzenemethanaminium, N-(3-((9,10-dihydro-4-((1-methylethyl)amino)-9,10-dioxo-1-anthracenyl)amino)propyl)-N,N-dimethyl-, chloride, Benzenemethanaminium, N-(3-((9,10-dihydro-4-((1-methylethyl)amino)-9,10-dioxo-1-anthracenyl)amino)propyl)-N,N-dimethyl-, chloride (1:1), Benzenemethanaminium, N-[3-[[9,10-dihydro-4-[(1-methylethyl)amino]-9,10-dioxo-1-anthracenyl]amino]propyl]-N,N-dimethyl-, chloride, Benzenemethanaminium, N-[3-[[9,10-dihydro-4-[(1-methylethyl)amino]-9,10-dioxo-1-anthracenyl]amino]propyl]-N,N-dimethyl-, chloride (1:1), n-benzyl-3-{[4-(isopropylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}-n,n-dimethylpropan-1-aminium chloride
| Molecular Formula | C29H34ClN3O2 |
|---|---|
| Molecular Weight | 491.23 g/mol |
| LogP | 2.36 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 491.23395 |
| Heavy Atoms | 35 |
| Complexity | 699.0 |
Chemical Identifiers
| CAS Number | 35402-38-1 |
|---|---|
| SMILES | CC(C)NC1=C2C(=C(C=C1)NCCC[N+](C)(C)CC3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O.[Cl-] |
| InChIKey | BIZUKZMQPYVJJF-UHFFFAOYSA-N |
Product Overview
RefChem:117642 (CAS 35402-38-1), with molecular formula C29H34ClN3O2 and molecular weight 491.23 g/mol. IUPAC: benzyl-[3-[[9,10-dioxo-4-(propan-2-ylamino)anthracen-1-yl]amino]propyl]-dimethylazanium chloride.
Chemical Property Profile of RefChem:117642
Property Insights of RefChem:117642
The XLogP value of 2.36 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:117642. With a topological polar surface area (TPSA) of 58.2 Ų, RefChem:117642 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:117642 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:117642?
The CAS number of RefChem:117642 is 35402-38-1.
What is the molecular formula of RefChem:117642?
The molecular formula of RefChem:117642 is C29H34ClN3O2.
What is the molecular weight of RefChem:117642?
The molecular weight of RefChem:117642 is 491.23 g/mol.
Where can I buy RefChem:117642?
You can request a quote for RefChem:117642 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117642?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117642 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.