![N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-N'-benzoylthiourea structure](/static/products/4610/461041-35-0.webp)
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-N'-benzoylthiourea
TL;DR: N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-N'-benzoylthiourea (CAS 461041-35-0) is a chemical compound with molecular formula C21H15N3O2S2 and molecular weight 405.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl]benzamide
Also Known As: N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-N'-benzoylthiourea, AP-970/40846611, N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}benzamide, N-[[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl]benzamide, 3-BENZOYL-1-[3-(1,3-BENZOTHIAZOL-2-YL)-4-HYDROXYPHENYL]THIOUREA
| Molecular Formula | C21H15N3O2S2 |
|---|---|
| Molecular Weight | 405.06 g/mol |
| LogP | 4.7957 |
| Topological Polar Surface Area | 74.25 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.06058 |
| Heavy Atoms | 28 |
| Complexity | 1139.723 |
Chemical Identifiers
| CAS Number | 461041-35-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)O)C3=NC4=CC=CC=C4S3 |
Product Overview
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-N'-benzoylthiourea (CAS 461041-35-0), with molecular formula C21H15N3O2S2 and molecular weight 405.06 g/mol. IUPAC: N-[[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl]benzamide.
Chemical Property Profile of N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-N'-benzoylthiourea
Property Insights of N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-N'-benzoylthiourea
The XLogP value of 4.7957 indicates that N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-N'-benzoylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.25 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-N'-benzoylthiourea. Following Lipinski's Rule of Five, N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-N'-benzoylthiourea has 3 hydrogen bond donor(s) and 5 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-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-N'-benzoylthiourea?
The CAS number of N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-N'-benzoylthiourea is 461041-35-0.
What is the molecular formula of N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-N'-benzoylthiourea?
The molecular formula of N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-N'-benzoylthiourea is C21H15N3O2S2.
What is the molecular weight of N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-N'-benzoylthiourea?
The molecular weight of N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-N'-benzoylthiourea is 405.06 g/mol.
Where can I buy N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-N'-benzoylthiourea?
You can request a quote for N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-N'-benzoylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-N'-benzoylthiourea?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-N'-benzoylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.