Primuline, sodium salt
TL;DR: Primuline, sodium salt (CAS 8064-60-6) is a chemical compound with molecular formula C49H33N7O6S7 and molecular weight 1039.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid;2-[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid
Also Known As: Primuline, Direct Yellow 59, Thioflavine S, Primulin, Primulinesulfonic acid
| Molecular Formula | C49H33N7O6S7 |
|---|---|
| Molecular Weight | 1039.05 g/mol |
| LogP | 13.03134 |
| Topological Polar Surface Area | 383.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 7 |
| Exact Mass | 1039.0537 |
| Heavy Atoms | 69 |
| Complexity | 1720.0 |
Chemical Identifiers
| CAS Number | 8064-60-6 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(S4)C5=CC=C(C=C5)N)S(=O)(=O)O.CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(S4)C5=CC6=C(C=C5)N=C(S6)C7=CC=C(C=C7)N)S(=O)(=O)O |
| InChIKey | ZAXBCXVACRXRQZ-UHFFFAOYSA-N |
Product Overview
Primuline, sodium salt (CAS 8064-60-6), with molecular formula C49H33N7O6S7 and molecular weight 1039.05 g/mol. IUPAC: 2-[2-[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid;2-[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid.
Chemical Property Profile of Primuline, sodium salt
Property Insights of Primuline, sodium salt
The XLogP value of 13.03134 indicates that Primuline, sodium salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 383.0 Ų indicates high polarity, suggesting Primuline, sodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Primuline, sodium salt has 4 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 Primuline, sodium salt?
The CAS number of Primuline, sodium salt is 8064-60-6.
What is the molecular formula of Primuline, sodium salt?
The molecular formula of Primuline, sodium salt is C49H33N7O6S7.
What is the molecular weight of Primuline, sodium salt?
The molecular weight of Primuline, sodium salt is 1039.05 g/mol.
Where can I buy Primuline, sodium salt?
You can request a quote for Primuline, sodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Primuline, sodium salt?
Yes, KEHONG BIO provides custom synthesis services for Primuline, sodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.