Sulfur red 11
TL;DR: Sulfur red 11 (CAS 67923-45-9) is a chemical compound with molecular formula C38H16N4O4S2 and molecular weight 656.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[6,8,17,19-tetraoxo-18-(3-thiocyanatophenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenyl] thiocyanate
Also Known As: Sulfur red 11, Sulphur Red 11, C.I.Sulphur Red 14, (1,3,8,10-tetraoxo-1,3,8,10-tetrahydroisoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-2,9-diyl)dibenzene-3,1-diyl bis(thiocyanate), [3-[6,8,17,19-tetraoxo-18-(3-thiocyanatophenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenyl] thiocyanate
| Molecular Formula | C38H16N4O4S2 |
|---|---|
| Molecular Weight | 656.06 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 656.0613 |
| Heavy Atoms | 48 |
| Complexity | 1320.0 |
Chemical Identifiers
| CAS Number | 67923-45-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SC#N)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)C9=CC(=CC=C9)SC#N)C2=O |
| InChIKey | AXMXHZAKIVTXGG-UHFFFAOYSA-N |
Product Overview
Sulfur red 11 (CAS 67923-45-9), with molecular formula C38H16N4O4S2 and molecular weight 656.06 g/mol. IUPAC: [3-[6,8,17,19-tetraoxo-18-(3-thiocyanatophenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]phenyl] thiocyanate.
Chemical Property Profile of Sulfur red 11
Property Insights of Sulfur red 11
The XLogP value of 7.9 indicates that Sulfur red 11 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.0 Ų indicates high polarity, suggesting Sulfur red 11 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sulfur red 11 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sulfur red 11?
The CAS number of Sulfur red 11 is 67923-45-9.
What is the molecular formula of Sulfur red 11?
The molecular formula of Sulfur red 11 is C38H16N4O4S2.
What is the molecular weight of Sulfur red 11?
The molecular weight of Sulfur red 11 is 656.06 g/mol.
Where can I buy Sulfur red 11?
You can request a quote for Sulfur red 11 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfur red 11?
Yes, KEHONG BIO provides custom synthesis services for Sulfur red 11 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.