![N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-chlorobenzamide structure](/static/products/347/347332-28-9.png)
N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-chlorobenzamide
TL;DR: N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-chlorobenzamide (CAS 347332-28-9) is a chemical compound with molecular formula C21H14ClN3O3S and molecular weight 423.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-4-chlorobenzamide
Also Known As: 3-[3-(1,3-BENZOXAZOL-2-YL)-4-HYDROXYPHENYL]-1-(4-CHLOROBENZOYL)THIOUREA, N-((3-(benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-4-chlorobenzamide, N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-chlorobenzamide, N-[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-4-chlorobenzamide, N-[[3-(3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-4-chlorobenzamide
| Molecular Formula | C21H14ClN3O3S |
|---|---|
| Molecular Weight | 423.04 g/mol |
| LogP | 4.9806 |
| Topological Polar Surface Area | 87.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.04443 |
| Heavy Atoms | 29 |
| Complexity | 1188.5637 |
Chemical Identifiers
| CAS Number | 347332-28-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)Cl)O |
Product Overview
N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-chlorobenzamide (CAS 347332-28-9), with molecular formula C21H14ClN3O3S and molecular weight 423.04 g/mol. IUPAC: N-[[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-4-chlorobenzamide.
Chemical Property Profile of N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-chlorobenzamide
Property Insights of N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-chlorobenzamide
The XLogP value of 4.9806 indicates that N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-chlorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.39 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-chlorobenzamide. Following Lipinski's Rule of Five, N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-chlorobenzamide 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-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-chlorobenzamide?
The CAS number of N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-chlorobenzamide is 347332-28-9.
What is the molecular formula of N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-chlorobenzamide?
The molecular formula of N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-chlorobenzamide is C21H14ClN3O3S.
What is the molecular weight of N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-chlorobenzamide?
The molecular weight of N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-chlorobenzamide is 423.04 g/mol.
Where can I buy N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-chlorobenzamide?
You can request a quote for N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-chlorobenzamide 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-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.