4-(2-Phenyl-2,3-dihydro-1,3-benzothiazol-2-yl)aniline
TL;DR: 4-(2-Phenyl-2,3-dihydro-1,3-benzothiazol-2-yl)aniline (CAS 68444-07-5) is a chemical compound with molecular formula C19H16N2S and molecular weight 304.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-phenyl-3H-1,3-benzothiazol-2-yl)aniline
Also Known As: 4-(2-phenyl-2,3-dihydro-1,3-benzothiazol-2-yl)aniline, 4-(2-phenyl-3H-benzothiazol-2-yl)aniline, 4-(2-phenyl-3H-1,3-benzothiazol-2-yl)aniline
| Molecular Formula | C19H16N2S |
|---|---|
| Molecular Weight | 304.10 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.10342 |
| Heavy Atoms | 22 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 68444-07-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2(NC3=CC=CC=C3S2)C4=CC=C(C=C4)N |
| InChIKey | ANAUABFZCXIGOW-UHFFFAOYSA-N |
Product Overview
4-(2-Phenyl-2,3-dihydro-1,3-benzothiazol-2-yl)aniline (CAS 68444-07-5), with molecular formula C19H16N2S and molecular weight 304.10 g/mol. IUPAC: 4-(2-phenyl-3H-1,3-benzothiazol-2-yl)aniline.
Chemical Property Profile of 4-(2-Phenyl-2,3-dihydro-1,3-benzothiazol-2-yl)aniline
Property Insights of 4-(2-Phenyl-2,3-dihydro-1,3-benzothiazol-2-yl)aniline
The XLogP value of 4.6 indicates that 4-(2-Phenyl-2,3-dihydro-1,3-benzothiazol-2-yl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Phenyl-2,3-dihydro-1,3-benzothiazol-2-yl)aniline. Following Lipinski's Rule of Five, 4-(2-Phenyl-2,3-dihydro-1,3-benzothiazol-2-yl)aniline has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2-Phenyl-2,3-dihydro-1,3-benzothiazol-2-yl)aniline?
The CAS number of 4-(2-Phenyl-2,3-dihydro-1,3-benzothiazol-2-yl)aniline is 68444-07-5.
What is the molecular formula of 4-(2-Phenyl-2,3-dihydro-1,3-benzothiazol-2-yl)aniline?
The molecular formula of 4-(2-Phenyl-2,3-dihydro-1,3-benzothiazol-2-yl)aniline is C19H16N2S.
What is the molecular weight of 4-(2-Phenyl-2,3-dihydro-1,3-benzothiazol-2-yl)aniline?
The molecular weight of 4-(2-Phenyl-2,3-dihydro-1,3-benzothiazol-2-yl)aniline is 304.10 g/mol.
Where can I buy 4-(2-Phenyl-2,3-dihydro-1,3-benzothiazol-2-yl)aniline?
You can request a quote for 4-(2-Phenyl-2,3-dihydro-1,3-benzothiazol-2-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Phenyl-2,3-dihydro-1,3-benzothiazol-2-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Phenyl-2,3-dihydro-1,3-benzothiazol-2-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.