4-Iodophenyl 2-(benzylsulfanyl)-5-chloropyrimidine-4-carboxylate
TL;DR: 4-Iodophenyl 2-(benzylsulfanyl)-5-chloropyrimidine-4-carboxylate (CAS 835891-40-2) is a chemical compound with molecular formula C18H12ClIN2O2S and molecular weight 481.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-iodophenyl) 2-benzylsulfanyl-5-chloropyrimidine-4-carboxylate
Also Known As: 4-iodophenyl 2-(benzylthio)-5-chloropyrimidine-4-carboxylate, (4-iodophenyl) 2-benzylsulfanyl-5-chloro-pyrimidine-4-carboxylate, (4-iodophenyl) 2-benzylsulfanyl-5-chloropyrimidine-4-carboxylate, 4-iodophenyl 2-(benzylsulfanyl)-5-chloropyrimidine-4-carboxylate
| Molecular Formula | C18H12ClIN2O2S |
|---|---|
| Molecular Weight | 481.94 g/mol |
| LogP | 5.2461 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.93527 |
| Heavy Atoms | 25 |
| Complexity | 876.00433 |
Chemical Identifiers
| CAS Number | 835891-40-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)OC3=CC=C(C=C3)I)Cl |
Product Overview
4-Iodophenyl 2-(benzylsulfanyl)-5-chloropyrimidine-4-carboxylate (CAS 835891-40-2), with molecular formula C18H12ClIN2O2S and molecular weight 481.94 g/mol. IUPAC: (4-iodophenyl) 2-benzylsulfanyl-5-chloropyrimidine-4-carboxylate.
Chemical Property Profile of 4-Iodophenyl 2-(benzylsulfanyl)-5-chloropyrimidine-4-carboxylate
Property Insights of 4-Iodophenyl 2-(benzylsulfanyl)-5-chloropyrimidine-4-carboxylate
The XLogP value of 5.2461 indicates that 4-Iodophenyl 2-(benzylsulfanyl)-5-chloropyrimidine-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, 4-Iodophenyl 2-(benzylsulfanyl)-5-chloropyrimidine-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Iodophenyl 2-(benzylsulfanyl)-5-chloropyrimidine-4-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Iodophenyl 2-(benzylsulfanyl)-5-chloropyrimidine-4-carboxylate?
The CAS number of 4-Iodophenyl 2-(benzylsulfanyl)-5-chloropyrimidine-4-carboxylate is 835891-40-2.
What is the molecular formula of 4-Iodophenyl 2-(benzylsulfanyl)-5-chloropyrimidine-4-carboxylate?
The molecular formula of 4-Iodophenyl 2-(benzylsulfanyl)-5-chloropyrimidine-4-carboxylate is C18H12ClIN2O2S.
What is the molecular weight of 4-Iodophenyl 2-(benzylsulfanyl)-5-chloropyrimidine-4-carboxylate?
The molecular weight of 4-Iodophenyl 2-(benzylsulfanyl)-5-chloropyrimidine-4-carboxylate is 481.94 g/mol.
Where can I buy 4-Iodophenyl 2-(benzylsulfanyl)-5-chloropyrimidine-4-carboxylate?
You can request a quote for 4-Iodophenyl 2-(benzylsulfanyl)-5-chloropyrimidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Iodophenyl 2-(benzylsulfanyl)-5-chloropyrimidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Iodophenyl 2-(benzylsulfanyl)-5-chloropyrimidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.