N-benzyl-5-chloro-2-(propylsulfanyl)pyrimidine-4-carboxamide
TL;DR: N-benzyl-5-chloro-2-(propylsulfanyl)pyrimidine-4-carboxamide (CAS 835898-97-0) is a chemical compound with molecular formula C15H16ClN3OS and molecular weight 321.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-5-chloro-2-propylsulfanylpyrimidine-4-carboxamide
Also Known As: SDCCGSBI-0138595.P001, N-benzyl-5-chloro-2-(propylsulfanyl)pyrimidine-4-carboxamide, (5-chloro-2-propylthiopyrimidin-4-yl)-N-benzylcarboxamide, N-benzyl-5-chloro-2-propylsulfanylpyrimidine-4-carboxamide
| Molecular Formula | C15H16ClN3OS |
|---|---|
| Molecular Weight | 321.07 g/mol |
| LogP | 3.5621 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.07025 |
| Heavy Atoms | 21 |
| Complexity | 607.1227 |
Chemical Identifiers
| CAS Number | 835898-97-0 |
|---|---|
| SMILES | CCCSC1=NC=C(C(=N1)C(=O)NCC2=CC=CC=C2)Cl |
Product Overview
N-benzyl-5-chloro-2-(propylsulfanyl)pyrimidine-4-carboxamide (CAS 835898-97-0), with molecular formula C15H16ClN3OS and molecular weight 321.07 g/mol. IUPAC: N-benzyl-5-chloro-2-propylsulfanylpyrimidine-4-carboxamide.
Chemical Property Profile of N-benzyl-5-chloro-2-(propylsulfanyl)pyrimidine-4-carboxamide
Property Insights of N-benzyl-5-chloro-2-(propylsulfanyl)pyrimidine-4-carboxamide
The XLogP value of 3.5621 indicates that N-benzyl-5-chloro-2-(propylsulfanyl)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, N-benzyl-5-chloro-2-(propylsulfanyl)pyrimidine-4-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-5-chloro-2-(propylsulfanyl)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 N-benzyl-5-chloro-2-(propylsulfanyl)pyrimidine-4-carboxamide?
The CAS number of N-benzyl-5-chloro-2-(propylsulfanyl)pyrimidine-4-carboxamide is 835898-97-0.
What is the molecular formula of N-benzyl-5-chloro-2-(propylsulfanyl)pyrimidine-4-carboxamide?
The molecular formula of N-benzyl-5-chloro-2-(propylsulfanyl)pyrimidine-4-carboxamide is C15H16ClN3OS.
What is the molecular weight of N-benzyl-5-chloro-2-(propylsulfanyl)pyrimidine-4-carboxamide?
The molecular weight of N-benzyl-5-chloro-2-(propylsulfanyl)pyrimidine-4-carboxamide is 321.07 g/mol.
Where can I buy N-benzyl-5-chloro-2-(propylsulfanyl)pyrimidine-4-carboxamide?
You can request a quote for N-benzyl-5-chloro-2-(propylsulfanyl)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 N-benzyl-5-chloro-2-(propylsulfanyl)pyrimidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-5-chloro-2-(propylsulfanyl)pyrimidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.