C18H13N7O9S
TL;DR: C18H13N7O9S (CAS 84100-00-5) is a chemical compound with molecular formula C18H13N7O9S and molecular weight 503.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[5-[(3-amino-4-nitrophenyl)hydrazinylidene]-4,6-dioxocyclohex-2-en-1-ylidene]hydrazinyl]-5-nitrobenzenesulfonic acid
Also Known As: EINECS 282-080-9, 2-((3-((3-Amino-4-nitrophenyl)azo)-2,4-dihydroxyphenyl)azo)-5-nitrobenzenesulphonic acid, 2-[[3-[(3-amino-4-nitrophenyl)azo]-2,4-dihydroxyphenyl]azo]-5-nitrobenzenesulphonic acid, Benzenesulfonic acid,2-[2-[3-[2-(3-amino-4-nitrophenyl)diazenyl]-2,4-dihydroxyphenyl]diazenyl]-5-nitro-
| Molecular Formula | C18H13N7O9S |
|---|---|
| Molecular Weight | 503.05 g/mol |
| LogP | -0.2165 |
| Topological Polar Surface Area | 249.59 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.04956 |
| Heavy Atoms | 35 |
| Complexity | 1694.3718 |
Chemical Identifiers
| CAS Number | 84100-00-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1NN=C2C(=O)C=CC(=NNC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O)C2=O)N)[N+](=O)[O-] |
Product Overview
C18H13N7O9S (CAS 84100-00-5), with molecular formula C18H13N7O9S and molecular weight 503.05 g/mol. IUPAC: 2-[2-[5-[(3-amino-4-nitrophenyl)hydrazinylidene]-4,6-dioxocyclohex-2-en-1-ylidene]hydrazinyl]-5-nitrobenzenesulfonic acid.
Chemical Property Profile of C18H13N7O9S
Property Insights of C18H13N7O9S
The XLogP value of -0.2165 indicates that C18H13N7O9S is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 249.59 Ų indicates high polarity, suggesting C18H13N7O9S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C18H13N7O9S has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C18H13N7O9S?
The CAS number of C18H13N7O9S is 84100-00-5.
What is the molecular formula of C18H13N7O9S?
The molecular formula of C18H13N7O9S is C18H13N7O9S.
What is the molecular weight of C18H13N7O9S?
The molecular weight of C18H13N7O9S is 503.05 g/mol.
Where can I buy C18H13N7O9S?
You can request a quote for C18H13N7O9S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H13N7O9S?
Yes, KEHONG BIO provides custom synthesis services for C18H13N7O9S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.