![N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxybenzamide structure](/static/products/4284/428459-94-3.webp)
N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxybenzamide
TL;DR: N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxybenzamide (CAS 428459-94-3) is a chemical compound with molecular formula C23H18ClN3O4S and molecular weight 467.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxybenzamide
Also Known As: N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxybenzamide, N-{[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-4-methoxybenzamide, N-({[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino}carbonothioyl)-4-methoxybenzamide
| Molecular Formula | C23H18ClN3O4S |
|---|---|
| Molecular Weight | 467.07 g/mol |
| LogP | 5.2922 |
| Topological Polar Surface Area | 85.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.07065 |
| Heavy Atoms | 32 |
| Complexity | 1304.5979 |
Chemical Identifiers
| CAS Number | 428459-94-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)OC)Cl |
Product Overview
N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxybenzamide (CAS 428459-94-3), with molecular formula C23H18ClN3O4S and molecular weight 467.07 g/mol. IUPAC: N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxybenzamide.
Chemical Property Profile of N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxybenzamide
Property Insights of N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxybenzamide
The XLogP value of 5.2922 indicates that N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.62 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxybenzamide. Following Lipinski's Rule of Five, N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxybenzamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxybenzamide?
The CAS number of N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxybenzamide is 428459-94-3.
What is the molecular formula of N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxybenzamide?
The molecular formula of N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxybenzamide is C23H18ClN3O4S.
What is the molecular weight of N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxybenzamide?
The molecular weight of N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxybenzamide is 467.07 g/mol.
Where can I buy N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxybenzamide?
You can request a quote for N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]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-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.