![N-[(5-benzothiazol-2-yl-2,4-dichloro-phenyl)thiocarbamoyl]-3-(2-furyl)prop-2-enamide structure](/static/products/5331/5331-46-4.webp)
N-[(5-benzothiazol-2-yl-2,4-dichloro-phenyl)thiocarbamoyl]-3-(2-furyl)prop-2-enamide
TL;DR: N-[(5-benzothiazol-2-yl-2,4-dichloro-phenyl)thiocarbamoyl]-3-(2-furyl)prop-2-enamide (CAS 5331-46-4) is a chemical compound with molecular formula C21H13Cl2N3O2S2 and molecular weight 472.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
Also Known As: N-[(5-benzothiazol-2-yl-2,4-dichloro-phenyl)thiocarbamoyl]-3-(2-furyl)prop-2-enamide, N-[[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide, N-{[5-(1,3-Benzothiazol-2-yl)-2,4-dichlorophenyl]carbamothioyl}-3-(furan-2-yl)prop-2-enamide
| Molecular Formula | C21H13Cl2N3O2S2 |
|---|---|
| Molecular Weight | 472.98 g/mol |
| LogP | 6.3895 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.98264 |
| Heavy Atoms | 30 |
| Complexity | 1233.7461 |
Chemical Identifiers
| CAS Number | 5331-46-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3Cl)Cl)NC(=S)NC(=O)C=CC4=CC=CO4 |
Product Overview
N-[(5-benzothiazol-2-yl-2,4-dichloro-phenyl)thiocarbamoyl]-3-(2-furyl)prop-2-enamide (CAS 5331-46-4), with molecular formula C21H13Cl2N3O2S2 and molecular weight 472.98 g/mol. IUPAC: N-[[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide.
Chemical Property Profile of N-[(5-benzothiazol-2-yl-2,4-dichloro-phenyl)thiocarbamoyl]-3-(2-furyl)prop-2-enamide
Property Insights of N-[(5-benzothiazol-2-yl-2,4-dichloro-phenyl)thiocarbamoyl]-3-(2-furyl)prop-2-enamide
The XLogP value of 6.3895 indicates that N-[(5-benzothiazol-2-yl-2,4-dichloro-phenyl)thiocarbamoyl]-3-(2-furyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(5-benzothiazol-2-yl-2,4-dichloro-phenyl)thiocarbamoyl]-3-(2-furyl)prop-2-enamide. Following Lipinski's Rule of Five, N-[(5-benzothiazol-2-yl-2,4-dichloro-phenyl)thiocarbamoyl]-3-(2-furyl)prop-2-enamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[(5-benzothiazol-2-yl-2,4-dichloro-phenyl)thiocarbamoyl]-3-(2-furyl)prop-2-enamide?
The CAS number of N-[(5-benzothiazol-2-yl-2,4-dichloro-phenyl)thiocarbamoyl]-3-(2-furyl)prop-2-enamide is 5331-46-4.
What is the molecular formula of N-[(5-benzothiazol-2-yl-2,4-dichloro-phenyl)thiocarbamoyl]-3-(2-furyl)prop-2-enamide?
The molecular formula of N-[(5-benzothiazol-2-yl-2,4-dichloro-phenyl)thiocarbamoyl]-3-(2-furyl)prop-2-enamide is C21H13Cl2N3O2S2.
What is the molecular weight of N-[(5-benzothiazol-2-yl-2,4-dichloro-phenyl)thiocarbamoyl]-3-(2-furyl)prop-2-enamide?
The molecular weight of N-[(5-benzothiazol-2-yl-2,4-dichloro-phenyl)thiocarbamoyl]-3-(2-furyl)prop-2-enamide is 472.98 g/mol.
Where can I buy N-[(5-benzothiazol-2-yl-2,4-dichloro-phenyl)thiocarbamoyl]-3-(2-furyl)prop-2-enamide?
You can request a quote for N-[(5-benzothiazol-2-yl-2,4-dichloro-phenyl)thiocarbamoyl]-3-(2-furyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(5-benzothiazol-2-yl-2,4-dichloro-phenyl)thiocarbamoyl]-3-(2-furyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(5-benzothiazol-2-yl-2,4-dichloro-phenyl)thiocarbamoyl]-3-(2-furyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.