![N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-chloro-4-methoxybenzamide structure](/static/products/4256/425664-69-3.webp)
N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-chloro-4-methoxybenzamide
TL;DR: N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-chloro-4-methoxybenzamide (CAS 425664-69-3) is a chemical compound with molecular formula C22H15Cl2N3O3S and molecular weight 471.02 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-chlorophenyl]carbamothioyl]-3-chloro-4-methoxybenzamide
Also Known As: N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-chloro-4-methoxybenzamide, N-{[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl}-3-chloro-4-methoxybenzamide
| Molecular Formula | C22H15Cl2N3O3S |
|---|---|
| Molecular Weight | 471.02 g/mol |
| LogP | 5.937 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.02112 |
| Heavy Atoms | 31 |
| Complexity | 1273.4058 |
Chemical Identifiers
| CAS Number | 425664-69-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4O3)Cl |
Product Overview
N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-chloro-4-methoxybenzamide (CAS 425664-69-3), with molecular formula C22H15Cl2N3O3S and molecular weight 471.02 g/mol. IUPAC: N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-chloro-4-methoxybenzamide.
Chemical Property Profile of N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-chloro-4-methoxybenzamide
Property Insights of N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-chloro-4-methoxybenzamide
The XLogP value of 5.937 indicates that N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-chloro-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-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-chloro-4-methoxybenzamide. Following Lipinski's Rule of Five, N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-chloro-4-methoxybenzamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-chloro-4-methoxybenzamide?
The CAS number of N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-chloro-4-methoxybenzamide is 425664-69-3.
What is the molecular formula of N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-chloro-4-methoxybenzamide?
The molecular formula of N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-chloro-4-methoxybenzamide is C22H15Cl2N3O3S.
What is the molecular weight of N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-chloro-4-methoxybenzamide?
The molecular weight of N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-chloro-4-methoxybenzamide is 471.02 g/mol.
Where can I buy N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-chloro-4-methoxybenzamide?
You can request a quote for N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-chloro-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-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-chloro-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-chloro-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.