RefChem:540440
TL;DR: RefChem:540440 (CAS 65072-41-5) is a chemical compound with molecular formula C23H21ClN4O3S2 and molecular weight 500.07 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
Also Known As: 2-((4-((2-Chlorobenzyl)ethylamino)-2-methylphenyl)azo)-6-benzothiazolesulfonic acid, 6-Benzothiazolesulfonic acid, 2-((4-(((2-chlorophenyl)methyl)ethylamino)-2-methylphenyl)azo)-, 6-Benzothiazolesulfonic acid, 2-[[4-[[(2-chlorophenyl)methyl]ethylamino]-2-methylphenyl]azo]-, 6-Benzothiazolesulfonic acid, 2-(2-(4-(((2-chlorophenyl)methyl)ethylamino)-2-methylphenyl)diazenyl)-, 2-((4-(((2-Chlorobenzyl))ethylamino)-o-tolyl)azo)benzothiazole-6-sulphonic acid
| Molecular Formula | C23H21ClN4O3S2 |
|---|---|
| Molecular Weight | 500.07 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 500.07437 |
| Heavy Atoms | 33 |
| Complexity | 780.0 |
Chemical Identifiers
| CAS Number | 65072-41-5 |
|---|---|
| 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 |
| InChIKey | RAEKJFJPNAEJQQ-UHFFFAOYSA-N |
Product Overview
RefChem:540440 (CAS 65072-41-5), with molecular formula C23H21ClN4O3S2 and molecular weight 500.07 g/mol. IUPAC: 2-[[4-[(2-chlorophenyl)methyl-ethylamino]-2-methylphenyl]diazenyl]-1,3-benzothiazole-6-sulfonic acid.
Chemical Property Profile of RefChem:540440
Property Insights of RefChem:540440
The XLogP value of 6.2 indicates that RefChem:540440 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:540440. Following Lipinski's Rule of Five, RefChem:540440 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:540440?
The CAS number of RefChem:540440 is 65072-41-5.
What is the molecular formula of RefChem:540440?
The molecular formula of RefChem:540440 is C23H21ClN4O3S2.
What is the molecular weight of RefChem:540440?
The molecular weight of RefChem:540440 is 500.07 g/mol.
Where can I buy RefChem:540440?
You can request a quote for RefChem:540440 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:540440?
Yes, KEHONG BIO provides custom synthesis services for RefChem:540440 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.