RefChem:540441
TL;DR: RefChem:540441 (CAS 70693-61-7) is a chemical compound with molecular formula C27H32ClN5O5S2 and molecular weight 605.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[(2-chlorophenyl)methyl-ethylamino]-2-methylphenyl]diazenyl]-1,3-benzothiazole-6-sulfonic acid;2-(2-hydroxyethylamino)ethanol
Also Known As: 2-((4-((o-Chlorobenzyl)ethylamino)-o-tolyl)azo)-6-benzothiazolesulfonic acid, diethanolamine salt, 6-Benzothiazolesulfonic acid, 2-((4-(((2-chlorophenyl)methyl)ethylamino)-2-methylphenyl)azo)-, compd. with 2,2'-iminobis(ethanol) (1:1), 6-Benzothiazolesulfonic acid, 2-(2-(4-(((2-chlorophenyl)methyl)ethylamino)-2-methylphenyl)diazenyl)-, compd. with 2,2'-iminobis(ethanol) (1:1), 6-Benzothiazolesulfonic acid, 2-[[4-[[(2-chlorophenyl)methyl]ethylamino]-2-methylphenyl]azo]-, compd. with 2,2'-iminobis[ethanol] (1:1), 2-((4-(((2-Chlorophenyl)methyl)ethylamino)-o-tolyl)azo)benzothiazole-7-sulphonic acid, compound with 2,2'-iminobis(ethanol) (1:1)
| Molecular Formula | C27H32ClN5O5S2 |
|---|---|
| Molecular Weight | 605.15 g/mol |
| LogP | 5.50732 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 605.1533 |
| Heavy Atoms | 40 |
| Complexity | 809.0 |
Chemical Identifiers
| CAS Number | 70693-61-7 |
|---|---|
| SMILES | CCN(CC1=CC=CC=C1Cl)C2=CC(=C(C=C2)N=NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)O)C.C(CO)NCCO |
| InChIKey | AWVCIJWOCBPQAV-UHFFFAOYSA-N |
Product Overview
RefChem:540441 (CAS 70693-61-7), with molecular formula C27H32ClN5O5S2 and molecular weight 605.15 g/mol. IUPAC: 2-[[4-[(2-chlorophenyl)methyl-ethylamino]-2-methylphenyl]diazenyl]-1,3-benzothiazole-6-sulfonic acid;2-(2-hydroxyethylamino)ethanol.
Chemical Property Profile of RefChem:540441
Property Insights of RefChem:540441
The XLogP value of 5.50732 indicates that RefChem:540441 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 184.0 Ų indicates high polarity, suggesting RefChem:540441 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:540441 has 4 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:540441?
The CAS number of RefChem:540441 is 70693-61-7.
What is the molecular formula of RefChem:540441?
The molecular formula of RefChem:540441 is C27H32ClN5O5S2.
What is the molecular weight of RefChem:540441?
The molecular weight of RefChem:540441 is 605.15 g/mol.
Where can I buy RefChem:540441?
You can request a quote for RefChem:540441 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:540441?
Yes, KEHONG BIO provides custom synthesis services for RefChem:540441 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.