![N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide structure](/static/products/6932/693237-50-2.webp)
N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
TL;DR: N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide (CAS 693237-50-2) is a chemical compound with molecular formula C23H19FN2O3S2 and molecular weight 454.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
Also Known As: N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide, N-{2-[(4-fluorobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-3,4-dimethoxybenzamide
| Molecular Formula | C23H19FN2O3S2 |
|---|---|
| Molecular Weight | 454.08 g/mol |
| LogP | 5.9972 |
| Topological Polar Surface Area | 60.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.08212 |
| Heavy Atoms | 31 |
| Complexity | 1225.4591 |
Chemical Identifiers
| CAS Number | 693237-50-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)F)OC |
Product Overview
N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide (CAS 693237-50-2), with molecular formula C23H19FN2O3S2 and molecular weight 454.08 g/mol. IUPAC: N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide.
Chemical Property Profile of N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
Property Insights of N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
The XLogP value of 5.9972 indicates that N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide. Following Lipinski's Rule of Five, N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide?
The CAS number of N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide is 693237-50-2.
What is the molecular formula of N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide?
The molecular formula of N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide is C23H19FN2O3S2.
What is the molecular weight of N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide?
The molecular weight of N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide is 454.08 g/mol.
Where can I buy N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide?
You can request a quote for N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.