RefChem:118588
TL;DR: RefChem:118588 (CAS 64130-95-6) is a chemical compound with molecular formula C36H46Cl4N8O2S2Zn and molecular weight 890.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
zinc;bis(2-[[4-(dimethylamino)phenyl]diazenyl]-3,5,5-trimethyl-4,6-dihydro-1,3-benzothiazol-3-ium-7-one);tetrachloride
Also Known As: C18H23N4OS.1/2Cl4Zn, C18-H23-N4-O-S.1/2Cl4-Zn, Benzothiazolium, 2-((4-(dimethylamino)phenyl)azo)-4,5,6,7-tetrahydro-3,5,5-trimethyl-7-oxo-, (T-4)-tetrachlorozincate(2-) (2:1), Benzothiazolium, 2-(2-(4-(dimethylamino)phenyl)diazenyl)-4,5,6,7-tetrahydro-3,5,5-trimethyl-7-oxo-, (T-4)-tetrachlorozincate(2-) (2:1), Benzothiazolium, 2-[[4-(dimethylamino)phenyl]azo]-4,5,6,7-tetrahydro-3,5,5-trimethyl-7-oxo-, (T-4)-tetrachlorozincate(2-) (2:1)
| Molecular Formula | C36H46Cl4N8O2S2Zn |
|---|---|
| Molecular Weight | 890.12 g/mol |
| LogP | -3.5683 |
| Topological Polar Surface Area | 97.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 890.12305 |
| Heavy Atoms | 53 |
| Complexity | 1771.5944 |
Chemical Identifiers
| CAS Number | 64130-95-6 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)SC(=[N+]2C)N=NC3=CC=C(C=C3)N(C)C)C.CC1(CC2=C(C(=O)C1)SC(=[N+]2C)N=NC3=CC=C(C=C3)N(C)C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2] |
Product Overview
RefChem:118588 (CAS 64130-95-6), with molecular formula C36H46Cl4N8O2S2Zn and molecular weight 890.12 g/mol. IUPAC: zinc;bis(2-[[4-(dimethylamino)phenyl]diazenyl]-3,5,5-trimethyl-4,6-dihydro-1,3-benzothiazol-3-ium-7-one);tetrachloride.
Chemical Property Profile of RefChem:118588
Property Insights of RefChem:118588
The XLogP value of -3.5683 indicates that RefChem:118588 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.82 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:118588. Following Lipinski's Rule of Five, RefChem:118588 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:118588?
The CAS number of RefChem:118588 is 64130-95-6.
What is the molecular formula of RefChem:118588?
The molecular formula of RefChem:118588 is C36H46Cl4N8O2S2Zn.
What is the molecular weight of RefChem:118588?
The molecular weight of RefChem:118588 is 890.12 g/mol.
Where can I buy RefChem:118588?
You can request a quote for RefChem:118588 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118588?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118588 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.