J776.123F
TL;DR: J776.123F (CAS 94246-08-9) is a chemical compound with molecular formula C36H25FN8O14S4 and molecular weight 940.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzamido-3-[[5-[[4-fluoro-6-[(1-sulfonaphthalen-2-yl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
Also Known As: 5-Benzamido-3-((5-((4-fluoro-6-((1-sulfo-2-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-4-hydroxy-2,7-naphthalenedisulfonic acid, 3-[[2-Sulfo-5-[[4-[(1-sulfo-2-naphthyl)amino]-6-fluoro-1,3,5-triazine-2-yl]amino]phenyl]azo]-4-hydroxy-5-(benzoylamino)naphthalene-2,7-disulfonic acid, 3-[[2-Sulfo-5-[[4-fluoro-6-(1-sulfo-2-naphthylamino)-s-triazin-2-yl]amino]phenyl]azo]-4-hydroxy-5-(benzoylamino)naphthalene-2,7-disulfonic acid, 5-Benzamido-3-{[5-({4-fluoro-6-[(1-sulfonaphthalen-2-yl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]diazenyl}-4-hydroxynaphthalene-2,7-disulfonic acid, 5-benzamido-3-{2-[5-({4-fluoro-6-[(1-sulfonaphthalen-2-yl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]diazen-1-yl}-4-hydroxynaphthalene-2,7-disulfonic acid
| Molecular Formula | C36H25FN8O14S4 |
|---|---|
| Molecular Weight | 940.04 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 388.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 12 |
| Exact Mass | 940.0357 |
| Heavy Atoms | 63 |
| Complexity | 2100.0 |
Chemical Identifiers
| CAS Number | 94246-08-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=C3O)N=NC4=C(C=CC(=C4)NC5=NC(=NC(=N5)F)NC6=C(C7=CC=CC=C7C=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | OAZMSUPYUHOQCH-UHFFFAOYSA-N |
Product Overview
J776.123F (CAS 94246-08-9), with molecular formula C36H25FN8O14S4 and molecular weight 940.04 g/mol. IUPAC: 5-benzamido-3-[[5-[[4-fluoro-6-[(1-sulfonaphthalen-2-yl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid.
Chemical Property Profile of J776.123F
Property Insights of J776.123F
The XLogP value of 5.0 indicates that J776.123F is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 388.0 Ų indicates high polarity, suggesting J776.123F may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J776.123F has 8 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J776.123F?
The CAS number of J776.123F is 94246-08-9.
What is the molecular formula of J776.123F?
The molecular formula of J776.123F is C36H25FN8O14S4.
What is the molecular weight of J776.123F?
The molecular weight of J776.123F is 940.04 g/mol.
Where can I buy J776.123F?
You can request a quote for J776.123F directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J776.123F?
Yes, KEHONG BIO provides custom synthesis services for J776.123F and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.