RefChem:413800
TL;DR: RefChem:413800 (CAS 2611-80-5) is a chemical compound with molecular formula C23H14N2Na2O8S2 and molecular weight 556.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-[(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)amino]benzene-1,3-disulfonate
Also Known As: EINECS 220-035-7, Acid red 82 (C.I. 68205), disodium4-[ amino]-benzene-1,3-disulphonate, 1,3-Benzenedisulfonic acid, 4-((2,7-dihydro-3-methyl-2,7-dioxo-3H-naphtho(1,2,3-de)quinolin-6-yl)amino)-, sodium salt (1:2), 1,3-Benzenedisulfonic acid, 4-[(2,7-dihydro-3-methyl-2,7-dioxo-3H-naphtho[1,2,3-de]quinolin-6-yl)amino]-, disodium salt
| Molecular Formula | C23H14N2Na2O8S2 |
|---|---|
| Molecular Weight | 556.00 g/mol |
| LogP | -3.6903 |
| Topological Polar Surface Area | 165.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 555.9987 |
| Heavy Atoms | 37 |
| Complexity | 1885.2589 |
Chemical Identifiers
| CAS Number | 2611-80-5 |
|---|---|
| SMILES | CN1C2=C3C(=CC1=O)C4=CC=CC=C4C(=O)C3=C(C=C2)NC5=C(C=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
Product Overview
RefChem:413800 (CAS 2611-80-5), with molecular formula C23H14N2Na2O8S2 and molecular weight 556.00 g/mol. IUPAC: disodium;4-[(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)amino]benzene-1,3-disulfonate.
Chemical Property Profile of RefChem:413800
Property Insights of RefChem:413800
The XLogP value of -3.6903 indicates that RefChem:413800 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 165.5 Ų indicates high polarity, suggesting RefChem:413800 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:413800 has 1 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:413800?
The CAS number of RefChem:413800 is 2611-80-5.
What is the molecular formula of RefChem:413800?
The molecular formula of RefChem:413800 is C23H14N2Na2O8S2.
What is the molecular weight of RefChem:413800?
The molecular weight of RefChem:413800 is 556.00 g/mol.
Where can I buy RefChem:413800?
You can request a quote for RefChem:413800 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:413800?
Yes, KEHONG BIO provides custom synthesis services for RefChem:413800 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.