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N-benzyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide
TL;DR: N-benzyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide (CAS 477859-41-9) is a chemical compound with molecular formula C24H18ClN3OS and molecular weight 431.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-4-(4-chlorophenyl)sulfanyl-2-phenylpyrimidine-5-carboxamide
Also Known As: 12M-506S, N-benzyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide, N-benzyl-4-(4-chlorophenyl)sulfanyl-2-phenylpyrimidine-5-carboxamide, N-benzyl-4-[(4-chlorophenyl)sulfanyl]-2-phenylpyrimidine-5-carboxamide, N-benzyl-4-(4-chlorophenyl)sulfanyl-2-phenyl-pyrimidine-5-carboxamide
| Molecular Formula | C24H18ClN3OS |
|---|---|
| Molecular Weight | 431.09 g/mol |
| LogP | 5.8782 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.0859 |
| Heavy Atoms | 30 |
| Complexity | 1136.2214 |
Chemical Identifiers
| CAS Number | 477859-41-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C2=CN=C(N=C2SC3=CC=C(C=C3)Cl)C4=CC=CC=C4 |
Product Overview
N-benzyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide (CAS 477859-41-9), with molecular formula C24H18ClN3OS and molecular weight 431.09 g/mol. IUPAC: N-benzyl-4-(4-chlorophenyl)sulfanyl-2-phenylpyrimidine-5-carboxamide.
Chemical Property Profile of N-benzyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide
Property Insights of N-benzyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide
The XLogP value of 5.8782 indicates that N-benzyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide 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-benzyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-benzyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide?
The CAS number of N-benzyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide is 477859-41-9.
What is the molecular formula of N-benzyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide?
The molecular formula of N-benzyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide is C24H18ClN3OS.
What is the molecular weight of N-benzyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide?
The molecular weight of N-benzyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide is 431.09 g/mol.
Where can I buy N-benzyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide?
You can request a quote for N-benzyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.