N-benzhydryl-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide
TL;DR: N-benzhydryl-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide (CAS 898648-18-5) is a chemical compound with molecular formula C19H16ClN3OS and molecular weight 369.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzhydryl-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide
Also Known As: VU0608952-1, F3290-0110, N-benzhydryl-5-chloro-2-(methylthio)pyrimidine-4-carboxamide, N-benzhydryl-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide, 5-CHLORO-N-(DIPHENYLMETHYL)-2-(METHYLSULFANYL)PYRIMIDINE-4-CARBOXAMIDE
| Molecular Formula | C19H16ClN3OS |
|---|---|
| Molecular Weight | 369.07 g/mol |
| LogP | 4.3713 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.07025 |
| Heavy Atoms | 25 |
| Complexity | 819.55786 |
Chemical Identifiers
| CAS Number | 898648-18-5 |
|---|---|
| SMILES | CSC1=NC=C(C(=N1)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)Cl |
Product Overview
N-benzhydryl-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide (CAS 898648-18-5), with molecular formula C19H16ClN3OS and molecular weight 369.07 g/mol. IUPAC: N-benzhydryl-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide.
Chemical Property Profile of N-benzhydryl-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide
Property Insights of N-benzhydryl-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide
The XLogP value of 4.3713 indicates that N-benzhydryl-5-chloro-2-methylsulfanylpyrimidine-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-benzhydryl-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzhydryl-5-chloro-2-methylsulfanylpyrimidine-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-benzhydryl-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide?
The CAS number of N-benzhydryl-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide is 898648-18-5.
What is the molecular formula of N-benzhydryl-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide?
The molecular formula of N-benzhydryl-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide is C19H16ClN3OS.
What is the molecular weight of N-benzhydryl-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide?
The molecular weight of N-benzhydryl-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide is 369.07 g/mol.
Where can I buy N-benzhydryl-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide?
You can request a quote for N-benzhydryl-5-chloro-2-methylsulfanylpyrimidine-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-benzhydryl-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzhydryl-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.