4-Chloro-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)aniline
TL;DR: 4-Chloro-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)aniline (CAS 65416-75-3) is a chemical compound with molecular formula C14H11ClN2S and molecular weight 274.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-3-methyl-1,3-benzothiazol-2-imine
Also Known As: 4-Chloro-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)aniline, NCI60_025226, N-(4-chlorophenyl)-3-methyl-1,3-benzothiazol-2-imine, AN-689/40796296, N-[3-Methylbenzothiazol-2(3H)-ylidene]-4-chloroaniline
| Molecular Formula | C14H11ClN2S |
|---|---|
| Molecular Weight | 274.03 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.03314 |
| Heavy Atoms | 18 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 65416-75-3 |
|---|---|
| SMILES | CN1C2=CC=CC=C2SC1=NC3=CC=C(C=C3)Cl |
| InChIKey | REKRGCCHFORPEM-UHFFFAOYSA-N |
Product Overview
4-Chloro-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)aniline (CAS 65416-75-3), with molecular formula C14H11ClN2S and molecular weight 274.03 g/mol. IUPAC: N-(4-chlorophenyl)-3-methyl-1,3-benzothiazol-2-imine.
Chemical Property Profile of 4-Chloro-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)aniline
Property Insights of 4-Chloro-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)aniline
The XLogP value of 4.4 indicates that 4-Chloro-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.9 Ų, 4-Chloro-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)aniline has 0 hydrogen bond donor(s) and 2 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-Chloro-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)aniline?
The CAS number of 4-Chloro-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)aniline is 65416-75-3.
What is the molecular formula of 4-Chloro-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)aniline?
The molecular formula of 4-Chloro-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)aniline is C14H11ClN2S.
What is the molecular weight of 4-Chloro-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)aniline?
The molecular weight of 4-Chloro-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)aniline is 274.03 g/mol.
Where can I buy 4-Chloro-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)aniline?
You can request a quote for 4-Chloro-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.