N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-cyanobenzamide
TL;DR: N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-cyanobenzamide (CAS 868369-41-9) is a chemical compound with molecular formula C17H12ClN3OS and molecular weight 341.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-cyanobenzamide
Also Known As: F1814-0383, N-[(2Z)-7-chloro-3,4-dimethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-4-cyanobenzamide, (Z)-N-(7-chloro-3,4-dimethylbenzo[d]thiazol-2(3H)-ylidene)-4-cyanobenzamide, N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-cyanobenzamide, p-{[(Z)-7-chloro-3-methyl-4-methyl-2,3-dihydro-1,3-benzothiazol-2-ylideneamino]carbonyl}benzonitrile
| Molecular Formula | C17H12ClN3OS |
|---|---|
| Molecular Weight | 341.04 g/mol |
| LogP | 3.8144 |
| Topological Polar Surface Area | 58.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 341.03897 |
| Heavy Atoms | 23 |
| Complexity | 1022.90356 |
Chemical Identifiers
| CAS Number | 868369-41-9 |
|---|---|
| SMILES | CC1=C2C(=C(C=C1)Cl)SC(=NC(=O)C3=CC=C(C=C3)C#N)N2C |
Product Overview
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-cyanobenzamide (CAS 868369-41-9), with molecular formula C17H12ClN3OS and molecular weight 341.04 g/mol. IUPAC: N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-cyanobenzamide.
Chemical Property Profile of N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-cyanobenzamide
Property Insights of N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-cyanobenzamide
The XLogP value of 3.8144 indicates that N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-cyanobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.15 Ų, N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-cyanobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-cyanobenzamide has 0 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 N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-cyanobenzamide?
The CAS number of N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-cyanobenzamide is 868369-41-9.
What is the molecular formula of N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-cyanobenzamide?
The molecular formula of N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-cyanobenzamide is C17H12ClN3OS.
What is the molecular weight of N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-cyanobenzamide?
The molecular weight of N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-cyanobenzamide is 341.04 g/mol.
Where can I buy N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-cyanobenzamide?
You can request a quote for N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-cyanobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-cyanobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-cyanobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.