![N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxybenzamide structure](/static/products/3337/333739-86-9.webp)
N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxybenzamide
TL;DR: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxybenzamide (CAS 333739-86-9) is a chemical compound with molecular formula C22H17N3O3S and molecular weight 403.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxybenzamide
Also Known As: BAS 02820261, N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxybenzamide, N-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-methoxybenzamide, 1-(4-Benzooxazol-2-yl-phenyl)-3-(4-methoxy-benzoyl)-thiourea, N-[4-(1,3-benzoxazol-2-yl)phenyl]-N'-(4-methoxybenzoyl)thiourea
| Molecular Formula | C22H17N3O3S |
|---|---|
| Molecular Weight | 403.10 g/mol |
| LogP | 4.6302 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.09906 |
| Heavy Atoms | 29 |
| Complexity | 1135.1194 |
Chemical Identifiers
| CAS Number | 333739-86-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3 |
Product Overview
N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxybenzamide (CAS 333739-86-9), with molecular formula C22H17N3O3S and molecular weight 403.10 g/mol. IUPAC: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxybenzamide.
Chemical Property Profile of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxybenzamide
Property Insights of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxybenzamide
The XLogP value of 4.6302 indicates that N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.39 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxybenzamide. Following Lipinski's Rule of Five, N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxybenzamide has 2 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-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxybenzamide?
The CAS number of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxybenzamide is 333739-86-9.
What is the molecular formula of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxybenzamide?
The molecular formula of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxybenzamide is C22H17N3O3S.
What is the molecular weight of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxybenzamide?
The molecular weight of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxybenzamide is 403.10 g/mol.
Where can I buy N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxybenzamide?
You can request a quote for N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxybenzamide 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-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.