RefChem:465300
TL;DR: RefChem:465300 (CAS 72187-35-0) is a chemical compound with molecular formula C26H17Cl2N5O9S2 and molecular weight 676.98 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-methyl-5-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[(3,6-dichloro-4-pyridazinyl)carbonyl]amino]-2-methyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, 2-Anthracenesulfonic acid, 1-amino-4-((3-(((3,6-dichloro-4-pyridazinyl)carbonyl)amino)-2-methyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, 1-amino-4-[3-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-methyl-5-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid, 1-Amino-4-[[3-[[ carbonyl]amino]-2-methyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonicacid, 1-Amino-4-[[3-[[(3,6-dichloro-4-pyridazinyl)carbonyl]amino]-2-methyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
| Molecular Formula | C26H17Cl2N5O9S2 |
|---|---|
| Molecular Weight | 676.98 g/mol |
| LogP | 3.93872 |
| Topological Polar Surface Area | 235.81 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 676.9845 |
| Heavy Atoms | 44 |
| Complexity | 2190.454 |
Chemical Identifiers
| CAS Number | 72187-35-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1NC(=O)C2=CC(=NN=C2Cl)Cl)S(=O)(=O)O)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)O |
Product Overview
RefChem:465300 (CAS 72187-35-0), with molecular formula C26H17Cl2N5O9S2 and molecular weight 676.98 g/mol. IUPAC: 1-amino-4-[3-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-methyl-5-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of RefChem:465300
Property Insights of RefChem:465300
The XLogP value of 3.93872 indicates that RefChem:465300 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 235.81 Ų indicates high polarity, suggesting RefChem:465300 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:465300 has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:465300?
The CAS number of RefChem:465300 is 72187-35-0.
What is the molecular formula of RefChem:465300?
The molecular formula of RefChem:465300 is C26H17Cl2N5O9S2.
What is the molecular weight of RefChem:465300?
The molecular weight of RefChem:465300 is 676.98 g/mol.
Where can I buy RefChem:465300?
You can request a quote for RefChem:465300 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:465300?
Yes, KEHONG BIO provides custom synthesis services for RefChem:465300 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.