EINECS 279-307-9
TL;DR: EINECS 279-307-9 (CAS 79817-77-9) is a chemical compound with molecular formula C21H14N3NaO7S and molecular weight 475.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 1-amino-4-(4-methyl-3-nitroanilino)-9,10-dioxoanthracene-2-sulfonate
Also Known As: EINECS 279-307-9, Sodium 1-amino-9,10-dihydro-4-((4-methyl-3-nitrophenyl)amino)-9,10-dioxoanthracene-2-sulphonate, sodium 1-amino-4-(4-methyl-3-nitroanilino)-9,10-dioxoanthracene-2-sulfonate, sodium 1-amino-4-[(4-methyl-3-nitrophenyl)amino]-9,10-dioxoanthracene-2-sulfonate, sodium,1-amino-4-(4-methyl-3-nitroanilino)-9,10-dioxoanthracene-2-sulfonate
| Molecular Formula | C21H14N3NaO7S |
|---|---|
| Molecular Weight | 475.05 g/mol |
| LogP | -0.08748 |
| Topological Polar Surface Area | 172.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 475.045 |
| Heavy Atoms | 33 |
| Complexity | 1468.9203 |
Chemical Identifiers
| CAS Number | 79817-77-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])[N+](=O)[O-].[Na+] |
Product Overview
EINECS 279-307-9 (CAS 79817-77-9), with molecular formula C21H14N3NaO7S and molecular weight 475.05 g/mol. IUPAC: sodium 1-amino-4-(4-methyl-3-nitroanilino)-9,10-dioxoanthracene-2-sulfonate.
Chemical Property Profile of EINECS 279-307-9
Property Insights of EINECS 279-307-9
The XLogP value of -0.08748 indicates that EINECS 279-307-9 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 172.53 Ų indicates high polarity, suggesting EINECS 279-307-9 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 279-307-9 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 279-307-9?
The CAS number of EINECS 279-307-9 is 79817-77-9.
What is the molecular formula of EINECS 279-307-9?
The molecular formula of EINECS 279-307-9 is C21H14N3NaO7S.
What is the molecular weight of EINECS 279-307-9?
The molecular weight of EINECS 279-307-9 is 475.05 g/mol.
Where can I buy EINECS 279-307-9?
You can request a quote for EINECS 279-307-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 279-307-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 279-307-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.