C.I. Direct Yellow 59
TL;DR: C.I. Direct Yellow 59 (CAS 10360-31-3) is a chemical compound with molecular formula C21H14N3NaO3S3 and molecular weight 475.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2-[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonate
Also Known As: Primuline, Primulin, Primuline ,, Direct Yellow 59, Thioflavine S
| Molecular Formula | C21H14N3NaO3S3 |
|---|---|
| Molecular Weight | 475.01 g/mol |
| LogP | 2.03872 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 475.0095 |
| Heavy Atoms | 31 |
| Complexity | 1541.2465 |
Chemical Identifiers
| CAS Number | 10360-31-3 |
|---|---|
| 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-].[Na+] |
Product Overview
C.I. Direct Yellow 59 (CAS 10360-31-3), with molecular formula C21H14N3NaO3S3 and molecular weight 475.01 g/mol. IUPAC: sodium 2-[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonate.
Chemical Property Profile of C.I. Direct Yellow 59
Property Insights of C.I. Direct Yellow 59
The XLogP value of 2.03872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C.I. Direct Yellow 59. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C.I. Direct Yellow 59. Following Lipinski's Rule of Five, C.I. Direct Yellow 59 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C.I. Direct Yellow 59?
The CAS number of C.I. Direct Yellow 59 is 10360-31-3.
What is the molecular formula of C.I. Direct Yellow 59?
The molecular formula of C.I. Direct Yellow 59 is C21H14N3NaO3S3.
What is the molecular weight of C.I. Direct Yellow 59?
The molecular weight of C.I. Direct Yellow 59 is 475.01 g/mol.
Where can I buy C.I. Direct Yellow 59?
You can request a quote for C.I. Direct Yellow 59 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C.I. Direct Yellow 59?
Yes, KEHONG BIO provides custom synthesis services for C.I. Direct Yellow 59 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.