C36H30N6O17S4
TL;DR: C36H30N6O17S4 (CAS 63216-97-7) is a chemical compound with molecular formula C36H30N6O17S4 and molecular weight 946.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-[[4-[4-[(2Z)-2-(8-acetamido-1-oxo-3,6-disulfonaphthalen-2-ylidene)hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-5-amino-4-oxonaphthalene-2,7-disulfonic acid
Also Known As: 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-3-[[4'-[(8-amino-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-4-hydroxy-, 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-3-((4'-((8-amino-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-4-hydroxy-, 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-3-(2-(4'-(2-(8-amino-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)diazenyl)-4-hydroxy-
| Molecular Formula | C36H30N6O17S4 |
|---|---|
| Molecular Weight | 946.06 g/mol |
| LogP | 3.191 |
| Topological Polar Surface Area | 373.98 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 12 |
| Exact Mass | 946.05505 |
| Heavy Atoms | 63 |
| Complexity | 3306.244 |
Chemical Identifiers
| CAS Number | 63216-97-7 |
|---|---|
| SMILES | CC(=O)NC1=CC(=CC2=C1C(=O)/C(=N/NC3=C(C=C(C=C3)C4=CC(=C(C=C4)N/N=C\5/C(=CC6=C(C5=O)C(=CC(=C6)S(=O)(=O)O)N)S(=O)(=O)O)OC)OC)/C(=C2)S(=O)(=O)O)S(=O)(=O)O |
Product Overview
C36H30N6O17S4 (CAS 63216-97-7), with molecular formula C36H30N6O17S4 and molecular weight 946.06 g/mol. IUPAC: (3E)-3-[[4-[4-[(2Z)-2-(8-acetamido-1-oxo-3,6-disulfonaphthalen-2-ylidene)hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-5-amino-4-oxonaphthalene-2,7-disulfonic acid.
Chemical Property Profile of C36H30N6O17S4
Property Insights of C36H30N6O17S4
The XLogP value of 3.191 indicates that C36H30N6O17S4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 373.98 Ų indicates high polarity, suggesting C36H30N6O17S4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C36H30N6O17S4 has 8 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C36H30N6O17S4?
The CAS number of C36H30N6O17S4 is 63216-97-7.
What is the molecular formula of C36H30N6O17S4?
The molecular formula of C36H30N6O17S4 is C36H30N6O17S4.
What is the molecular weight of C36H30N6O17S4?
The molecular weight of C36H30N6O17S4 is 946.06 g/mol.
Where can I buy C36H30N6O17S4?
You can request a quote for C36H30N6O17S4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C36H30N6O17S4?
Yes, KEHONG BIO provides custom synthesis services for C36H30N6O17S4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.