N-(4-bromobenzyl)-3-(pyrimidin-2-ylsulfanyl)propan-1-amine
TL;DR: N-(4-bromobenzyl)-3-(pyrimidin-2-ylsulfanyl)propan-1-amine (CAS 881444-83-3) is a chemical compound with molecular formula C14H16BrN3S and molecular weight 337.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-bromophenyl)methyl]-3-pyrimidin-2-ylsulfanylpropan-1-amine
Also Known As: ASN 13829577, N-(4-bromobenzyl)-3-(pyrimidin-2-ylsulfanyl)propan-1-amine, AN-465/43399913, N-[(4-bromophenyl)methyl]-3-pyrimidin-2-ylsulfanylpropan-1-amine, (4-Bromo-benzyl)-[3-(pyrimidin-2-ylsulfanyl)-propyl]-amine
| Molecular Formula | C14H16BrN3S |
|---|---|
| Molecular Weight | 337.02 g/mol |
| LogP | 3.5111 |
| Topological Polar Surface Area | 37.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 337.02484 |
| Heavy Atoms | 19 |
| Complexity | 475.80957 |
Chemical Identifiers
| CAS Number | 881444-83-3 |
|---|---|
| SMILES | C1=CN=C(N=C1)SCCCNCC2=CC=C(C=C2)Br |
Product Overview
N-(4-bromobenzyl)-3-(pyrimidin-2-ylsulfanyl)propan-1-amine (CAS 881444-83-3), with molecular formula C14H16BrN3S and molecular weight 337.02 g/mol. IUPAC: N-[(4-bromophenyl)methyl]-3-pyrimidin-2-ylsulfanylpropan-1-amine.
Chemical Property Profile of N-(4-bromobenzyl)-3-(pyrimidin-2-ylsulfanyl)propan-1-amine
Property Insights of N-(4-bromobenzyl)-3-(pyrimidin-2-ylsulfanyl)propan-1-amine
The XLogP value of 3.5111 indicates that N-(4-bromobenzyl)-3-(pyrimidin-2-ylsulfanyl)propan-1-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.81 Ų, N-(4-bromobenzyl)-3-(pyrimidin-2-ylsulfanyl)propan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-bromobenzyl)-3-(pyrimidin-2-ylsulfanyl)propan-1-amine 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-bromobenzyl)-3-(pyrimidin-2-ylsulfanyl)propan-1-amine?
The CAS number of N-(4-bromobenzyl)-3-(pyrimidin-2-ylsulfanyl)propan-1-amine is 881444-83-3.
What is the molecular formula of N-(4-bromobenzyl)-3-(pyrimidin-2-ylsulfanyl)propan-1-amine?
The molecular formula of N-(4-bromobenzyl)-3-(pyrimidin-2-ylsulfanyl)propan-1-amine is C14H16BrN3S.
What is the molecular weight of N-(4-bromobenzyl)-3-(pyrimidin-2-ylsulfanyl)propan-1-amine?
The molecular weight of N-(4-bromobenzyl)-3-(pyrimidin-2-ylsulfanyl)propan-1-amine is 337.02 g/mol.
Where can I buy N-(4-bromobenzyl)-3-(pyrimidin-2-ylsulfanyl)propan-1-amine?
You can request a quote for N-(4-bromobenzyl)-3-(pyrimidin-2-ylsulfanyl)propan-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-bromobenzyl)-3-(pyrimidin-2-ylsulfanyl)propan-1-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromobenzyl)-3-(pyrimidin-2-ylsulfanyl)propan-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.