N-(4-bromophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide
TL;DR: N-(4-bromophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide (CAS 701241-95-4) is a chemical compound with molecular formula C18H14BrN3OS and molecular weight 399.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide
Also Known As: BAS 09538068, N-(4-bromophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide, AQ-088/42181662, N-(4-bromophenyl)-4-[(pyrimidin-2-ylsulfanyl)methyl]benzamide, N-(4-bromophenyl)-4-[(2-pyrimidinylthio)methyl]benzamide
| Molecular Formula | C18H14BrN3OS |
|---|---|
| Molecular Weight | 399.00 g/mol |
| LogP | 4.7837 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.0041 |
| Heavy Atoms | 24 |
| Complexity | 807.93225 |
Chemical Identifiers
| CAS Number | 701241-95-4 |
|---|---|
| SMILES | C1=CN=C(N=C1)SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)Br |
Product Overview
N-(4-bromophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide (CAS 701241-95-4), with molecular formula C18H14BrN3OS and molecular weight 399.00 g/mol. IUPAC: N-(4-bromophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide.
Chemical Property Profile of N-(4-bromophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide
Property Insights of N-(4-bromophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide
The XLogP value of 4.7837 indicates that N-(4-bromophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide 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-(4-bromophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-bromophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide 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-(4-bromophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide?
The CAS number of N-(4-bromophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide is 701241-95-4.
What is the molecular formula of N-(4-bromophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide?
The molecular formula of N-(4-bromophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide is C18H14BrN3OS.
What is the molecular weight of N-(4-bromophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide?
The molecular weight of N-(4-bromophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide is 399.00 g/mol.
Where can I buy N-(4-bromophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide?
You can request a quote for N-(4-bromophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-bromophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromophenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.