RefChem:74874
TL;DR: RefChem:74874 (CAS 67846-54-2) is a chemical compound with molecular formula C28H21Cl2N5O9S2 and molecular weight 705.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-[3-[(3,6-dichloropyridazine-4-carbonyl)amino]-2,4,6-trimethyl-5-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: 1-Amino-4-(3-(((3,6-dichloropyridazin-4-yl)carbonyl)amino)-2,4,6-trimethyl-5-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid, 1-Amino-4-((3-(((3,6-dichloro-4-pyridazinyl)carbonyl)amino)-2,4,6-trimethyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid, 1-AMINO-4-(3-(((3,6-DICHLOROPYRIDAZIN-4-YL)CARBONYL)AMINO)-2,4,6-TRIMETHYL-5-SULFOANILINO)-9,10-DIHYDRO-9,10-DIOXOANTHRACENE-2-SULFONIC ACID, 1-AMINO-4-(3-((3,6-DICHLOROPYRIDAZINE-4-CARBONYL)AMINO)-2,4,6-TRIMETHYL-5-SULFOANILINO)-9,10-DIOXOANTHRACENE-2-SULFONIC ACID, 1-Amino-4-[[3-[[(3,6-dichloro-4-pyridazinyl)carbonyl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
| Molecular Formula | C28H21Cl2N5O9S2 |
|---|---|
| Molecular Weight | 705.02 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 253.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 705.01575 |
| Heavy Atoms | 46 |
| Complexity | 1430.0 |
Chemical Identifiers
| CAS Number | 67846-54-2 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1NC(=O)C2=CC(=NN=C2Cl)Cl)C)S(=O)(=O)O)C)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)O |
| InChIKey | WPNCZPHIKSFVSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:74874 (CAS 67846-54-2), with molecular formula C28H21Cl2N5O9S2 and molecular weight 705.02 g/mol. IUPAC: 1-amino-4-[3-[(3,6-dichloropyridazine-4-carbonyl)amino]-2,4,6-trimethyl-5-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of RefChem:74874
Property Insights of RefChem:74874
The XLogP value of 3.5 indicates that RefChem:74874 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 253.0 Ų indicates high polarity, suggesting RefChem:74874 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:74874 has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:74874?
The CAS number of RefChem:74874 is 67846-54-2.
What is the molecular formula of RefChem:74874?
The molecular formula of RefChem:74874 is C28H21Cl2N5O9S2.
What is the molecular weight of RefChem:74874?
The molecular weight of RefChem:74874 is 705.02 g/mol.
Where can I buy RefChem:74874?
You can request a quote for RefChem:74874 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:74874?
Yes, KEHONG BIO provides custom synthesis services for RefChem:74874 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.