![N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide structure](/static/products/4296/429656-47-3.webp)
N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide
TL;DR: N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide (CAS 429656-47-3) is a chemical compound with molecular formula C22H21ClN2O3S and molecular weight 428.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide
Also Known As: N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide, 5-(4-chlorophenyl)-N-[(2-hydroxy-5-tert-butyl-phenyl)thiocarbamoyl]furan-2-carboxamide
| Molecular Formula | C22H21ClN2O3S |
|---|---|
| Molecular Weight | 428.10 g/mol |
| LogP | 5.7299 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.09613 |
| Heavy Atoms | 29 |
| Complexity | 1052.6646 |
Chemical Identifiers
| CAS Number | 429656-47-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl |
Product Overview
N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide (CAS 429656-47-3), with molecular formula C22H21ClN2O3S and molecular weight 428.10 g/mol. IUPAC: N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide.
Chemical Property Profile of N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide
Property Insights of N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide
The XLogP value of 5.7299 indicates that N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide. Following Lipinski's Rule of Five, N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide has 3 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 N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide?
The CAS number of N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide is 429656-47-3.
What is the molecular formula of N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide?
The molecular formula of N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide is C22H21ClN2O3S.
What is the molecular weight of N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide?
The molecular weight of N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide is 428.10 g/mol.
Where can I buy N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide?
You can request a quote for N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.