RefChem:117840
TL;DR: RefChem:117840 (CAS 71215-90-2) is a chemical compound with molecular formula C21H19N3Na2O9S3 and molecular weight 599.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-amino-5-[(4-amino-3-sulfophenyl)-(4-imino-3-methyl-5-sulfonatocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate
Also Known As: Benzenesulfonic acid, 2-amino-5-((4-amino-3-sulfophenyl)(4-imino-3-methyl-5-sulfo-2,5-cyclohexadien-1-ylidene)methyl)-3-methyl-, disodium salt, Benzenesulfonic acid, 2-amino-5-((4-amino-3-sulfophenyl)(4-imino-3-methyl-5-sulfo-2,5-cyclohexadien-1-ylidene)methyl)-3-methyl-, sodium salt (1:2), Benzenesulfonic acid, 2-amino-5-[(4-amino-3-sulfophenyl)(4-imino-3-methyl-5-sulfo-2,5-cyclohexadien-1-ylidene)methyl]-3-methyl-, disodium salt, Benzenesulfonic acid, 2-amino-5-[(4-amino-3-sulfophenyl)(4-imino-3-methyl-5-sulfo-2,5-cyclohexadien-1-ylidene)methyl]-3-methyl-, sodium salt (1:2), RefChem:117840
| Molecular Formula | C21H19N3Na2O9S3 |
|---|---|
| Molecular Weight | 599.01 g/mol |
| LogP | -4.47111 |
| Topological Polar Surface Area | 270.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 599.0079 |
| Heavy Atoms | 38 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 71215-90-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1N)S(=O)(=O)[O-])C(=C2C=C(C(=N)C(=C2)S(=O)(=O)[O-])C)C3=CC(=C(C=C3)N)S(=O)(=O)O.[Na+].[Na+] |
| InChIKey | NALGXPAVQYRCSF-UHFFFAOYSA-L |
Product Overview
RefChem:117840 (CAS 71215-90-2), with molecular formula C21H19N3Na2O9S3 and molecular weight 599.01 g/mol. IUPAC: disodium;2-amino-5-[(4-amino-3-sulfophenyl)-(4-imino-3-methyl-5-sulfonatocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate.
Chemical Property Profile of RefChem:117840
Property Insights of RefChem:117840
The XLogP value of -4.47111 indicates that RefChem:117840 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 270.0 Ų indicates high polarity, suggesting RefChem:117840 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:117840 has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:117840?
The CAS number of RefChem:117840 is 71215-90-2.
What is the molecular formula of RefChem:117840?
The molecular formula of RefChem:117840 is C21H19N3Na2O9S3.
What is the molecular weight of RefChem:117840?
The molecular weight of RefChem:117840 is 599.01 g/mol.
Where can I buy RefChem:117840?
You can request a quote for RefChem:117840 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117840?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117840 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.