RefChem:147078
TL;DR: RefChem:147078 (CAS 59867-77-5) is a chemical compound with molecular formula C24H25N2NaO6S4 and molecular weight 588.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 3-[(2E)-2-[(E)-2-methyl-3-[3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate
Also Known As: EINECS 261-967-4, Hydrogen-2-(2-methyl-3-(3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene)prop-1-enyl)-3-(3-sulphonatopropyl)benzothiazolium, sodium salt, Hydrogen-2-[2-methyl-3-[3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]prop-1-enyl]-3-(3-sulphonatopropyl)benzothiazolium, sodium salt, 261-967-4, sodium 3-[(2E)-2-[(E)-2-methyl-3-[3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate
| Molecular Formula | C24H25N2NaO6S4 |
|---|---|
| Molecular Weight | 588.05 g/mol |
| LogP | 0.9204 |
| Topological Polar Surface Area | 121.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 588.0493 |
| Heavy Atoms | 37 |
| Complexity | 1548.1669 |
Chemical Identifiers
| CAS Number | 59867-77-5 |
|---|---|
| SMILES | C/C(=C\C1=[N+](C2=CC=CC=C2S1)CCCS(=O)(=O)[O-])/C=C/3\N(C4=CC=CC=C4S3)CCCS(=O)(=O)[O-].[Na+] |
Product Overview
RefChem:147078 (CAS 59867-77-5), with molecular formula C24H25N2NaO6S4 and molecular weight 588.05 g/mol. IUPAC: sodium 3-[(2E)-2-[(E)-2-methyl-3-[3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate.
Chemical Property Profile of RefChem:147078
Property Insights of RefChem:147078
The XLogP value of 0.9204 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:147078. The TPSA of 121.52 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:147078. Following Lipinski's Rule of Five, RefChem:147078 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:147078?
The CAS number of RefChem:147078 is 59867-77-5.
What is the molecular formula of RefChem:147078?
The molecular formula of RefChem:147078 is C24H25N2NaO6S4.
What is the molecular weight of RefChem:147078?
The molecular weight of RefChem:147078 is 588.05 g/mol.
Where can I buy RefChem:147078?
You can request a quote for RefChem:147078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:147078?
Yes, KEHONG BIO provides custom synthesis services for RefChem:147078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.