RefChem:272832
TL;DR: RefChem:272832 (CAS 29706-48-7) is a chemical compound with molecular formula C23H22N4O3S2 and molecular weight 466.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(1,3-benzothiazol-2-yldiazenyl)-N-ethyl-3-methylanilino]methyl]benzenesulfonic acid
Also Known As: alpha-((4-(Benzothiazol-2-ylazo)-m-tolyl)ethylamino)-m-toluenesulphonic acid, alpha-[[4- -m-tolyl]ethylamino]-m-toluenesulphonicacid, 3-{[{4-[(e)-1,3-benzothiazol-2-yldiazenyl]-3-methylphenyl}(ethyl)amino]methyl}benzenesulfonic acid, 3-(((4-(2-(2-Benzothiazolyl)diazenyl)-3-methylphenyl)ethylamino)methyl)benzenesulfonic acid, 3-[[[4-(2-Benzothiazolylazo)-3-methylphenyl]ethylamino]methyl]benzenesulfonic acid
| Molecular Formula | C23H22N4O3S2 |
|---|---|
| Molecular Weight | 466.11 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 466.11334 |
| Heavy Atoms | 32 |
| Complexity | 744.0 |
Chemical Identifiers
| CAS Number | 29706-48-7 |
|---|---|
| SMILES | CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC(=C(C=C2)N=NC3=NC4=CC=CC=C4S3)C |
| InChIKey | QFZFXWNDIVQIAJ-UHFFFAOYSA-N |
Product Overview
RefChem:272832 (CAS 29706-48-7), with molecular formula C23H22N4O3S2 and molecular weight 466.11 g/mol. IUPAC: 3-[[4-(1,3-benzothiazol-2-yldiazenyl)-N-ethyl-3-methylanilino]methyl]benzenesulfonic acid.
Chemical Property Profile of RefChem:272832
Property Insights of RefChem:272832
The XLogP value of 5.6 indicates that RefChem:272832 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:272832. Following Lipinski's Rule of Five, RefChem:272832 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:272832?
The CAS number of RefChem:272832 is 29706-48-7.
What is the molecular formula of RefChem:272832?
The molecular formula of RefChem:272832 is C23H22N4O3S2.
What is the molecular weight of RefChem:272832?
The molecular weight of RefChem:272832 is 466.11 g/mol.
Where can I buy RefChem:272832?
You can request a quote for RefChem:272832 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272832?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272832 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.