![N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide structure](/static/products/4256/425653-52-7.webp)
N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide
TL;DR: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide (CAS 425653-52-7) is a chemical compound with molecular formula C21H15N3OS2 and molecular weight 389.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide
Also Known As: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide, N-{[(4-benzothiazol-2-ylphenyl)amino]thioxomethyl}benzamide, N-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl}benzamide
| Molecular Formula | C21H15N3OS2 |
|---|---|
| Molecular Weight | 389.07 g/mol |
| LogP | 5.0901 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.06564 |
| Heavy Atoms | 27 |
| Complexity | 1072.2068 |
Chemical Identifiers
| CAS Number | 425653-52-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3 |
Product Overview
N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide (CAS 425653-52-7), with molecular formula C21H15N3OS2 and molecular weight 389.07 g/mol. IUPAC: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide
Property Insights of N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide
The XLogP value of 5.0901 indicates that N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide?
The CAS number of N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide is 425653-52-7.
What is the molecular formula of N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide?
The molecular formula of N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide is C21H15N3OS2.
What is the molecular weight of N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide?
The molecular weight of N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide is 389.07 g/mol.
Where can I buy N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide?
You can request a quote for N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.