![3-bromo-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methoxybenzamide structure](/static/products/4256/425685-00-3.webp)
3-bromo-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methoxybenzamide
TL;DR: 3-bromo-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methoxybenzamide (CAS 425685-00-3) is a chemical compound with molecular formula C21H16BrClN2O3S and molecular weight 489.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methoxybenzamide
Also Known As: 3-bromo-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methoxybenzamide, 3-bromo-N-{[4-(4-chlorophenoxy)phenyl]carbamothioyl}-4-methoxybenzamide
| Molecular Formula | C21H16BrClN2O3S |
|---|---|
| Molecular Weight | 489.98 g/mol |
| LogP | 6.0302 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.97534 |
| Heavy Atoms | 29 |
| Complexity | 1027.1011 |
Chemical Identifiers
| CAS Number | 425685-00-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)Br |
Product Overview
3-bromo-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methoxybenzamide (CAS 425685-00-3), with molecular formula C21H16BrClN2O3S and molecular weight 489.98 g/mol. IUPAC: 3-bromo-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methoxybenzamide.
Chemical Property Profile of 3-bromo-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methoxybenzamide
Property Insights of 3-bromo-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methoxybenzamide
The XLogP value of 6.0302 indicates that 3-bromo-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, 3-bromo-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methoxybenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methoxybenzamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-bromo-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methoxybenzamide?
The CAS number of 3-bromo-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methoxybenzamide is 425685-00-3.
What is the molecular formula of 3-bromo-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methoxybenzamide?
The molecular formula of 3-bromo-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methoxybenzamide is C21H16BrClN2O3S.
What is the molecular weight of 3-bromo-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methoxybenzamide?
The molecular weight of 3-bromo-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methoxybenzamide is 489.98 g/mol.
Where can I buy 3-bromo-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methoxybenzamide?
You can request a quote for 3-bromo-N-[[4-(4-chlorophenoxy)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 3-bromo-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.