N-(3-chloro-4-methylphenyl)-1,3-benzothiazol-2-amine
TL;DR: N-(3-chloro-4-methylphenyl)-1,3-benzothiazol-2-amine (CAS 216502-44-2) 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-(3-chloro-4-methylphenyl)-1,3-benzothiazol-2-amine
Also Known As: N-(3-chloro-4-methylphenyl)-1,3-benzothiazol-2-amine, Maybridge4_000180, Benzothiazol-2-yl-(3-chloro-4-methyl-phenyl)-amine, IDI1_030762, benzothiazol-2-yl(3-chloro-4-methylphenyl)amine
| Molecular Formula | C14H11ClN2S |
|---|---|
| Molecular Weight | 274.03 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 53.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.03314 |
| Heavy Atoms | 18 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 216502-44-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3S2)Cl |
| InChIKey | KOKNHIGKSUUWCU-UHFFFAOYSA-N |
Product Overview
N-(3-chloro-4-methylphenyl)-1,3-benzothiazol-2-amine (CAS 216502-44-2), with molecular formula C14H11ClN2S and molecular weight 274.03 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-1,3-benzothiazol-2-amine.
Chemical Property Profile of N-(3-chloro-4-methylphenyl)-1,3-benzothiazol-2-amine
Property Insights of N-(3-chloro-4-methylphenyl)-1,3-benzothiazol-2-amine
The XLogP value of 5.2 indicates that N-(3-chloro-4-methylphenyl)-1,3-benzothiazol-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.2 Ų, N-(3-chloro-4-methylphenyl)-1,3-benzothiazol-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chloro-4-methylphenyl)-1,3-benzothiazol-2-amine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-chloro-4-methylphenyl)-1,3-benzothiazol-2-amine?
The CAS number of N-(3-chloro-4-methylphenyl)-1,3-benzothiazol-2-amine is 216502-44-2.
What is the molecular formula of N-(3-chloro-4-methylphenyl)-1,3-benzothiazol-2-amine?
The molecular formula of N-(3-chloro-4-methylphenyl)-1,3-benzothiazol-2-amine is C14H11ClN2S.
What is the molecular weight of N-(3-chloro-4-methylphenyl)-1,3-benzothiazol-2-amine?
The molecular weight of N-(3-chloro-4-methylphenyl)-1,3-benzothiazol-2-amine is 274.03 g/mol.
Where can I buy N-(3-chloro-4-methylphenyl)-1,3-benzothiazol-2-amine?
You can request a quote for N-(3-chloro-4-methylphenyl)-1,3-benzothiazol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-4-methylphenyl)-1,3-benzothiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-methylphenyl)-1,3-benzothiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.