RefChem:429320
TL;DR: RefChem:429320 (CAS 25956-35-8) is a chemical compound with molecular formula C21H17N3O8S2 and molecular weight 503.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-(3-amino-2-methyl-5-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: EINECS 247-369-6, 1-Amino-4-((3-amino-2-methyl-5-sulphophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid, 1-Amino-4-[(3-amino-2-methyl-5-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid, 2-Anthracenesulfonic acid, 1-amino-4-((3-amino-2-methyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, 1-Amino-4-[(3-amino-2-methyl-5-sulphophenyl)amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
| Molecular Formula | C21H17N3O8S2 |
|---|---|
| Molecular Weight | 503.05 g/mol |
| LogP | 2.17182 |
| Topological Polar Surface Area | 206.95 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 503.04572 |
| Heavy Atoms | 34 |
| Complexity | 1644.8978 |
Chemical Identifiers
| CAS Number | 25956-35-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)O)N |
Product Overview
RefChem:429320 (CAS 25956-35-8), with molecular formula C21H17N3O8S2 and molecular weight 503.05 g/mol. IUPAC: 1-amino-4-(3-amino-2-methyl-5-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of RefChem:429320
Property Insights of RefChem:429320
The XLogP value of 2.17182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:429320. The TPSA of 206.95 Ų indicates high polarity, suggesting RefChem:429320 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:429320 has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:429320?
The CAS number of RefChem:429320 is 25956-35-8.
What is the molecular formula of RefChem:429320?
The molecular formula of RefChem:429320 is C21H17N3O8S2.
What is the molecular weight of RefChem:429320?
The molecular weight of RefChem:429320 is 503.05 g/mol.
Where can I buy RefChem:429320?
You can request a quote for RefChem:429320 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:429320?
Yes, KEHONG BIO provides custom synthesis services for RefChem:429320 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.