![2-benzylsulfanyl-5-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide structure](/static/products/833/833429-35-9.png)
2-benzylsulfanyl-5-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide
TL;DR: 2-benzylsulfanyl-5-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide (CAS 833429-35-9) is a chemical compound with molecular formula C22H17ClN6O3S2 and molecular weight 512.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-5-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide
Also Known As: 2-benzylsulfanyl-5-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide, 2-(benzylsulfanyl)-5-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide
| Molecular Formula | C22H17ClN6O3S2 |
|---|---|
| Molecular Weight | 512.05 g/mol |
| LogP | 4.2654 |
| Topological Polar Surface Area | 126.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 512.0492 |
| Heavy Atoms | 34 |
| Complexity | 1389.591 |
Chemical Identifiers
| CAS Number | 833429-35-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)Cl |
Product Overview
2-benzylsulfanyl-5-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide (CAS 833429-35-9), with molecular formula C22H17ClN6O3S2 and molecular weight 512.05 g/mol. IUPAC: 2-benzylsulfanyl-5-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide.
Chemical Property Profile of 2-benzylsulfanyl-5-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide
Property Insights of 2-benzylsulfanyl-5-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide
The XLogP value of 4.2654 indicates that 2-benzylsulfanyl-5-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-benzylsulfanyl-5-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide. Following Lipinski's Rule of Five, 2-benzylsulfanyl-5-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-benzylsulfanyl-5-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide?
The CAS number of 2-benzylsulfanyl-5-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide is 833429-35-9.
What is the molecular formula of 2-benzylsulfanyl-5-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide?
The molecular formula of 2-benzylsulfanyl-5-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide is C22H17ClN6O3S2.
What is the molecular weight of 2-benzylsulfanyl-5-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide?
The molecular weight of 2-benzylsulfanyl-5-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide is 512.05 g/mol.
Where can I buy 2-benzylsulfanyl-5-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide?
You can request a quote for 2-benzylsulfanyl-5-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]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 2-benzylsulfanyl-5-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-benzylsulfanyl-5-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrimidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.