Vat Red 44
TL;DR: Vat Red 44 (CAS 89923-58-0) is a chemical compound with molecular formula C32H32N10O10S3 and molecular weight 812.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(N-[(E)-(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-methyl-4-nitroaniline);sulfate
Also Known As: Vat Red 44, EINECS 289-548-1, Benzothiazolium, 6-methoxy-3-methyl-2-(3-methyl-3-(4-nitrophenyl)-1-triazenyl)-, sulfate (2:1), Benzothiazolium, 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-, sulfate (2:1), Benzothiazolium, 6-methoxy-3-methyl-2-(3-methyl-3-(4-nitrophenyl)-1-triazen-1-yl)-, sulfate (2:1)
| Molecular Formula | C32H32N10O10S3 |
|---|---|
| Molecular Weight | 812.15 g/mol |
| LogP | 6.2174 |
| Topological Polar Surface Area | 248.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 812.1465 |
| Heavy Atoms | 55 |
| Complexity | 2307.6904 |
Chemical Identifiers
| CAS Number | 89923-58-0 |
|---|---|
| SMILES | C[N+]1=C(SC2=C1C=CC(=C2)OC)/N=N/N(C3=CC=C(C=C3)[N+](=O)[O-])C.C[N+]1=C(SC2=C1C=CC(=C2)OC)/N=N/N(C3=CC=C(C=C3)[N+](=O)[O-])C.[O-]S(=O)(=O)[O-] |
Product Overview
Vat Red 44 (CAS 89923-58-0), with molecular formula C32H32N10O10S3 and molecular weight 812.15 g/mol. IUPAC: bis(N-[(E)-(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-methyl-4-nitroaniline);sulfate.
Chemical Property Profile of Vat Red 44
Property Insights of Vat Red 44
The XLogP value of 6.2174 indicates that Vat Red 44 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 248.68 Ų indicates high polarity, suggesting Vat Red 44 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vat Red 44 has 0 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vat Red 44?
The CAS number of Vat Red 44 is 89923-58-0.
What is the molecular formula of Vat Red 44?
The molecular formula of Vat Red 44 is C32H32N10O10S3.
What is the molecular weight of Vat Red 44?
The molecular weight of Vat Red 44 is 812.15 g/mol.
Where can I buy Vat Red 44?
You can request a quote for Vat Red 44 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vat Red 44?
Yes, KEHONG BIO provides custom synthesis services for Vat Red 44 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.