RefChem:561657
TL;DR: RefChem:561657 (CAS 60388-23-0) is a chemical compound with molecular formula C20H21F3N4S and molecular weight 406.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butan-2-yl-2,5-dimethyl-4-[[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]diazenyl]aniline
Also Known As: 4-((4-(Trifluoromethyl)-2-benzothiazolyl)azo)-2,5-dimethyl-N-(1-methylpropyl)aniline, N-butan-2-yl-2,5-dimethyl-4-[[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]diazenyl]aniline, N-isopentyl-4-[[4- benzothiazol-2-yl]azo]-2,5-xylidine, Benzenamine, 2,5-dimethyl-N-(1-methylpropyl)-4-((4-(trifluoromethyl)-2-benzothiazolyl)azo)-, Benzenamine, 2,5-dimethyl-N-(1-methylpropyl)-4-(2-(4-(trifluoromethyl)-2-benzothiazolyl)diazenyl)-
| Molecular Formula | C20H21F3N4S |
|---|---|
| Molecular Weight | 406.14 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.1439 |
| Heavy Atoms | 28 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 60388-23-0 |
|---|---|
| SMILES | CCC(C)NC1=C(C=C(C(=C1)C)N=NC2=NC3=C(C=CC=C3S2)C(F)(F)F)C |
| InChIKey | UKZDNRGTNGNYEO-UHFFFAOYSA-N |
Product Overview
RefChem:561657 (CAS 60388-23-0), with molecular formula C20H21F3N4S and molecular weight 406.14 g/mol. IUPAC: N-butan-2-yl-2,5-dimethyl-4-[[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]diazenyl]aniline.
Chemical Property Profile of RefChem:561657
Property Insights of RefChem:561657
The XLogP value of 7.4 indicates that RefChem:561657 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:561657. Following Lipinski's Rule of Five, RefChem:561657 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:561657?
The CAS number of RefChem:561657 is 60388-23-0.
What is the molecular formula of RefChem:561657?
The molecular formula of RefChem:561657 is C20H21F3N4S.
What is the molecular weight of RefChem:561657?
The molecular weight of RefChem:561657 is 406.14 g/mol.
Where can I buy RefChem:561657?
You can request a quote for RefChem:561657 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:561657?
Yes, KEHONG BIO provides custom synthesis services for RefChem:561657 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.