苯并噻唑-2-基-(4-氯苯基)胺
TL;DR: 苯并噻唑-2-基-(4-氯苯基)胺 (CAS 68213-88-7) is a chemical compound with molecular formula C13H9ClN2S and molecular weight 260.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯并噻唑-2-基-(4-氯苯基)胺
N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
Also Known As: Benzothiazol-2-yl-(4-chloro-phenyl)-amine, N-(4-chlorophenyl)-1,3-benzothiazol-2-amine, N-(4-Chlorophenyl)benzo[d]thiazol-2-amine, 2-(4-Chlorophenylamino)benzothiazole, 2-benzothiazolamine, n-(4-chlorophenyl)-
| Molecular Formula | C13H9ClN2S |
|---|---|
| Molecular Weight | 260.02 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 53.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.0175 |
| Heavy Atoms | 17 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 68213-88-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NC3=CC=C(C=C3)Cl |
| InChIKey | SKQQXSUIQRSKIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯并噻唑-2-基-(4-氯苯基)胺 (CAS 68213-88-7), with molecular formula C13H9ClN2S and molecular weight 260.02 g/mol. IUPAC: N-(4-chlorophenyl)-1,3-benzothiazol-2-amine.
Chemical Property Profile of 苯并噻唑-2-基-(4-氯苯基)胺
Property Insights of 苯并噻唑-2-基-(4-氯苯基)胺
The XLogP value of 4.8 indicates that 苯并噻唑-2-基-(4-氯苯基)胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.2 Ų, 苯并噻唑-2-基-(4-氯苯基)胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯并噻唑-2-基-(4-氯苯基)胺 has 1 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 苯并噻唑-2-基-(4-氯苯基)胺?
The CAS number of 苯并噻唑-2-基-(4-氯苯基)胺 is 68213-88-7.
What is the molecular formula of 苯并噻唑-2-基-(4-氯苯基)胺?
The molecular formula of 苯并噻唑-2-基-(4-氯苯基)胺 is C13H9ClN2S.
What is the molecular weight of 苯并噻唑-2-基-(4-氯苯基)胺?
The molecular weight of 苯并噻唑-2-基-(4-氯苯基)胺 is 260.02 g/mol.
Where can I buy 苯并噻唑-2-基-(4-氯苯基)胺?
You can request a quote for 苯并噻唑-2-基-(4-氯苯基)胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯并噻唑-2-基-(4-氯苯基)胺?
Yes, KEHONG BIO provides custom synthesis services for 苯并噻唑-2-基-(4-氯苯基)胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.