N-(4-bromophenyl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide
TL;DR: N-(4-bromophenyl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide (CAS 898646-83-8) is a chemical compound with molecular formula C12H9BrClN3OS and molecular weight 356.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide
Also Known As: SDCCGSBI-0139720.P001, VU0608945-1, F3290-0087, N-(4-bromophenyl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide, N-(4-bromophenyl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide
| Molecular Formula | C12H9BrClN3OS |
|---|---|
| Molecular Weight | 356.93 g/mol |
| LogP | 3.8667 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.9338 |
| Heavy Atoms | 19 |
| Complexity | 606.4235 |
Chemical Identifiers
| CAS Number | 898646-83-8 |
|---|---|
| SMILES | CSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)Br)Cl |
Product Overview
N-(4-bromophenyl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide (CAS 898646-83-8), with molecular formula C12H9BrClN3OS and molecular weight 356.93 g/mol. IUPAC: N-(4-bromophenyl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide.
Chemical Property Profile of N-(4-bromophenyl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide
Property Insights of N-(4-bromophenyl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide
The XLogP value of 3.8667 indicates that N-(4-bromophenyl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, N-(4-bromophenyl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-bromophenyl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide has 1 hydrogen bond donor(s) and 4 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 N-(4-bromophenyl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide?
The CAS number of N-(4-bromophenyl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide is 898646-83-8.
What is the molecular formula of N-(4-bromophenyl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide?
The molecular formula of N-(4-bromophenyl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide is C12H9BrClN3OS.
What is the molecular weight of N-(4-bromophenyl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide?
The molecular weight of N-(4-bromophenyl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide is 356.93 g/mol.
Where can I buy N-(4-bromophenyl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide?
You can request a quote for N-(4-bromophenyl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-bromophenyl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromophenyl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.