3-Benzylsulfanyl-3-(4-bromophenyl)-2-cyanopropanamide
TL;DR: 3-Benzylsulfanyl-3-(4-bromophenyl)-2-cyanopropanamide (CAS 5473-39-2) is a chemical compound with molecular formula C17H15BrN2OS and molecular weight 374.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-3-(4-bromophenyl)-2-cyanopropanamide
Also Known As: 3-benzylsulfanyl-3-(4-bromophenyl)-2-cyanopropanamide, BIM-0021371.P001, 3-(benzylthio)-3-(4-bromophenyl)-2-cyanopropanamide, 3-(BENZYLSULFANYL)-3-(4-BROMOPHENYL)-2-CYANOPROPANAMIDE
| Molecular Formula | C17H15BrN2OS |
|---|---|
| Molecular Weight | 374.01 g/mol |
| LogP | 4.04868 |
| Topological Polar Surface Area | 66.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.00885 |
| Heavy Atoms | 22 |
| Complexity | 667.30835 |
Chemical Identifiers
| CAS Number | 5473-39-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(C2=CC=C(C=C2)Br)C(C#N)C(=O)N |
Product Overview
3-Benzylsulfanyl-3-(4-bromophenyl)-2-cyanopropanamide (CAS 5473-39-2), with molecular formula C17H15BrN2OS and molecular weight 374.01 g/mol. IUPAC: 3-benzylsulfanyl-3-(4-bromophenyl)-2-cyanopropanamide.
Chemical Property Profile of 3-Benzylsulfanyl-3-(4-bromophenyl)-2-cyanopropanamide
Property Insights of 3-Benzylsulfanyl-3-(4-bromophenyl)-2-cyanopropanamide
The XLogP value of 4.04868 indicates that 3-Benzylsulfanyl-3-(4-bromophenyl)-2-cyanopropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzylsulfanyl-3-(4-bromophenyl)-2-cyanopropanamide. Following Lipinski's Rule of Five, 3-Benzylsulfanyl-3-(4-bromophenyl)-2-cyanopropanamide 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 3-Benzylsulfanyl-3-(4-bromophenyl)-2-cyanopropanamide?
The CAS number of 3-Benzylsulfanyl-3-(4-bromophenyl)-2-cyanopropanamide is 5473-39-2.
What is the molecular formula of 3-Benzylsulfanyl-3-(4-bromophenyl)-2-cyanopropanamide?
The molecular formula of 3-Benzylsulfanyl-3-(4-bromophenyl)-2-cyanopropanamide is C17H15BrN2OS.
What is the molecular weight of 3-Benzylsulfanyl-3-(4-bromophenyl)-2-cyanopropanamide?
The molecular weight of 3-Benzylsulfanyl-3-(4-bromophenyl)-2-cyanopropanamide is 374.01 g/mol.
Where can I buy 3-Benzylsulfanyl-3-(4-bromophenyl)-2-cyanopropanamide?
You can request a quote for 3-Benzylsulfanyl-3-(4-bromophenyl)-2-cyanopropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzylsulfanyl-3-(4-bromophenyl)-2-cyanopropanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzylsulfanyl-3-(4-bromophenyl)-2-cyanopropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.