RefChem:339132
TL;DR: RefChem:339132 (CAS 2498-95-5) is a chemical compound with molecular formula C27H22N4Na2O7S3 and molecular weight 656.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-[4-[[2-cyano-3-[4-[methyl(2-sulfonatoethyl)amino]phenyl]prop-2-enoyl]amino]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate
Also Known As: 7-Benzothiazolesulfonicacid,2-[4-[[2-cyano-3-[4-[methyl(2-sulfoethyl)amino]phenyl]-1-oxo-2-propen-1-yl]amino]phenyl]-6-methyl-,sodium salt (1:2), Disodium 2-(4-((2-cyano-3-(4-(methyl(2-sulphonatoethyl)amino)phenyl)-1-oxoallyl)amino)phenyl)-6-methylbenzothiazole-7-sulphonate, 219-694-3, 7-Benzothiazolesulfonic acid, 2-(4-((2-cyano-3-(4-(methyl(2-sulfoethyl)amino)phenyl)-1-oxo-2-propenyl)amino)phenyl)-6-methyl-, disodium salt, Disodium 2-[4-(2-cyano-3-{4-[methyl(2-sulfonatoethyl)amino]phenyl}prop-2-enamido)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate
| Molecular Formula | C27H22N4Na2O7S3 |
|---|---|
| Molecular Weight | 656.04 g/mol |
| LogP | -2.2891 |
| Topological Polar Surface Area | 228.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 656.0446 |
| Heavy Atoms | 43 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 2498-95-5 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(=CC4=CC=C(C=C4)N(C)CCS(=O)(=O)[O-])C#N)S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | RXTSUBROMXGEJZ-UHFFFAOYSA-L |
Product Overview
RefChem:339132 (CAS 2498-95-5), with molecular formula C27H22N4Na2O7S3 and molecular weight 656.04 g/mol. IUPAC: disodium;2-[4-[[2-cyano-3-[4-[methyl(2-sulfonatoethyl)amino]phenyl]prop-2-enoyl]amino]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate.
Chemical Property Profile of RefChem:339132
Property Insights of RefChem:339132
The XLogP value of -2.2891 indicates that RefChem:339132 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 228.0 Ų indicates high polarity, suggesting RefChem:339132 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:339132 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:339132?
The CAS number of RefChem:339132 is 2498-95-5.
What is the molecular formula of RefChem:339132?
The molecular formula of RefChem:339132 is C27H22N4Na2O7S3.
What is the molecular weight of RefChem:339132?
The molecular weight of RefChem:339132 is 656.04 g/mol.
Where can I buy RefChem:339132?
You can request a quote for RefChem:339132 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:339132?
Yes, KEHONG BIO provides custom synthesis services for RefChem:339132 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.