5-chloro-N-(3-iodophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
TL;DR: 5-chloro-N-(3-iodophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide (CAS 838602-92-9) is a chemical compound with molecular formula C12H9ClIN3OS and molecular weight 404.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-(3-iodophenyl)-2-methylsulfanylpyrimidine-4-carboxamide
Also Known As: 5-chloro-N-(3-iodophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide, 5-chloro-N-(3-iodophenyl)-2-methylsulfanylpyrimidine-4-carboxamide
| Molecular Formula | C12H9ClIN3OS |
|---|---|
| Molecular Weight | 404.92 g/mol |
| LogP | 3.7088 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.91995 |
| Heavy Atoms | 19 |
| Complexity | 623.6735 |
Chemical Identifiers
| CAS Number | 838602-92-9 |
|---|---|
| SMILES | CSC1=NC=C(C(=N1)C(=O)NC2=CC(=CC=C2)I)Cl |
Product Overview
5-chloro-N-(3-iodophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide (CAS 838602-92-9), with molecular formula C12H9ClIN3OS and molecular weight 404.92 g/mol. IUPAC: 5-chloro-N-(3-iodophenyl)-2-methylsulfanylpyrimidine-4-carboxamide.
Chemical Property Profile of 5-chloro-N-(3-iodophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
Property Insights of 5-chloro-N-(3-iodophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
The XLogP value of 3.7088 indicates that 5-chloro-N-(3-iodophenyl)-2-(methylsulfanyl)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, 5-chloro-N-(3-iodophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-N-(3-iodophenyl)-2-(methylsulfanyl)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 5-chloro-N-(3-iodophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide?
The CAS number of 5-chloro-N-(3-iodophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide is 838602-92-9.
What is the molecular formula of 5-chloro-N-(3-iodophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide?
The molecular formula of 5-chloro-N-(3-iodophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide is C12H9ClIN3OS.
What is the molecular weight of 5-chloro-N-(3-iodophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide?
The molecular weight of 5-chloro-N-(3-iodophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide is 404.92 g/mol.
Where can I buy 5-chloro-N-(3-iodophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide?
You can request a quote for 5-chloro-N-(3-iodophenyl)-2-(methylsulfanyl)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 5-chloro-N-(3-iodophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-N-(3-iodophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.