5-bromo-N-(dibenzylcarbamothioyl)furan-2-carboxamide
TL;DR: 5-bromo-N-(dibenzylcarbamothioyl)furan-2-carboxamide (CAS 536722-71-1) is a chemical compound with molecular formula C20H17BrN2O2S and molecular weight 428.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-(dibenzylcarbamothioyl)furan-2-carboxamide
Also Known As: 5-bromo-N-(dibenzylcarbamothioyl)furan-2-carboxamide, 1,1-DIBENZYL-3-(5-BROMOFURAN-2-CARBONYL)THIOUREA, 5-bromo-n-[(dibenzylamino)carbonothioyl]-2-furamide, F1201-0165
| Molecular Formula | C20H17BrN2O2S |
|---|---|
| Molecular Weight | 428.02 g/mol |
| LogP | 4.7592 |
| Topological Polar Surface Area | 45.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.0194 |
| Heavy Atoms | 26 |
| Complexity | 839.59644 |
Chemical Identifiers
| CAS Number | 536722-71-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)NC(=O)C3=CC=C(O3)Br |
Product Overview
5-bromo-N-(dibenzylcarbamothioyl)furan-2-carboxamide (CAS 536722-71-1), with molecular formula C20H17BrN2O2S and molecular weight 428.02 g/mol. IUPAC: 5-bromo-N-(dibenzylcarbamothioyl)furan-2-carboxamide.
Chemical Property Profile of 5-bromo-N-(dibenzylcarbamothioyl)furan-2-carboxamide
Property Insights of 5-bromo-N-(dibenzylcarbamothioyl)furan-2-carboxamide
The XLogP value of 4.7592 indicates that 5-bromo-N-(dibenzylcarbamothioyl)furan-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.48 Ų, 5-bromo-N-(dibenzylcarbamothioyl)furan-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-bromo-N-(dibenzylcarbamothioyl)furan-2-carboxamide has 1 hydrogen bond donor(s) and 3 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 5-bromo-N-(dibenzylcarbamothioyl)furan-2-carboxamide?
The CAS number of 5-bromo-N-(dibenzylcarbamothioyl)furan-2-carboxamide is 536722-71-1.
What is the molecular formula of 5-bromo-N-(dibenzylcarbamothioyl)furan-2-carboxamide?
The molecular formula of 5-bromo-N-(dibenzylcarbamothioyl)furan-2-carboxamide is C20H17BrN2O2S.
What is the molecular weight of 5-bromo-N-(dibenzylcarbamothioyl)furan-2-carboxamide?
The molecular weight of 5-bromo-N-(dibenzylcarbamothioyl)furan-2-carboxamide is 428.02 g/mol.
Where can I buy 5-bromo-N-(dibenzylcarbamothioyl)furan-2-carboxamide?
You can request a quote for 5-bromo-N-(dibenzylcarbamothioyl)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 5-bromo-N-(dibenzylcarbamothioyl)furan-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-N-(dibenzylcarbamothioyl)furan-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.