N-Allyl-2-phenyl-6-((phenylsulfinyl)methyl)-4-pyrimidinamine
TL;DR: N-Allyl-2-phenyl-6-((phenylsulfinyl)methyl)-4-pyrimidinamine (CAS 477709-98-1) is a chemical compound with molecular formula C20H19N3OS and molecular weight 349.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(benzenesulfinylmethyl)-2-phenyl-N-prop-2-enylpyrimidin-4-amine
Also Known As: 1L-525S, N-Allyl-2-phenyl-6-((phenylsulfinyl)methyl)-4-pyrimidinamine, 6-(benzenesulfinylmethyl)-2-phenyl-N-prop-2-enylpyrimidin-4-amine, N-Allyl-2-phenyl-6-((phenylsulfinyl)methyl)pyrimidin-4-amine, N-allyl-2-phenyl-6-[(phenylsulfinyl)methyl]-4-pyrimidinamine
| Molecular Formula | C20H19N3OS |
|---|---|
| Molecular Weight | 349.12 g/mol |
| LogP | 4.0493 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 349.12488 |
| Heavy Atoms | 25 |
| Complexity | 866.62445 |
Chemical Identifiers
| CAS Number | 477709-98-1 |
|---|---|
| SMILES | C=CCNC1=NC(=NC(=C1)CS(=O)C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
N-Allyl-2-phenyl-6-((phenylsulfinyl)methyl)-4-pyrimidinamine (CAS 477709-98-1), with molecular formula C20H19N3OS and molecular weight 349.12 g/mol. IUPAC: 6-(benzenesulfinylmethyl)-2-phenyl-N-prop-2-enylpyrimidin-4-amine.
Chemical Property Profile of N-Allyl-2-phenyl-6-((phenylsulfinyl)methyl)-4-pyrimidinamine
Property Insights of N-Allyl-2-phenyl-6-((phenylsulfinyl)methyl)-4-pyrimidinamine
The XLogP value of 4.0493 indicates that N-Allyl-2-phenyl-6-((phenylsulfinyl)methyl)-4-pyrimidinamine 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-Allyl-2-phenyl-6-((phenylsulfinyl)methyl)-4-pyrimidinamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Allyl-2-phenyl-6-((phenylsulfinyl)methyl)-4-pyrimidinamine 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-Allyl-2-phenyl-6-((phenylsulfinyl)methyl)-4-pyrimidinamine?
The CAS number of N-Allyl-2-phenyl-6-((phenylsulfinyl)methyl)-4-pyrimidinamine is 477709-98-1.
What is the molecular formula of N-Allyl-2-phenyl-6-((phenylsulfinyl)methyl)-4-pyrimidinamine?
The molecular formula of N-Allyl-2-phenyl-6-((phenylsulfinyl)methyl)-4-pyrimidinamine is C20H19N3OS.
What is the molecular weight of N-Allyl-2-phenyl-6-((phenylsulfinyl)methyl)-4-pyrimidinamine?
The molecular weight of N-Allyl-2-phenyl-6-((phenylsulfinyl)methyl)-4-pyrimidinamine is 349.12 g/mol.
Where can I buy N-Allyl-2-phenyl-6-((phenylsulfinyl)methyl)-4-pyrimidinamine?
You can request a quote for N-Allyl-2-phenyl-6-((phenylsulfinyl)methyl)-4-pyrimidinamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Allyl-2-phenyl-6-((phenylsulfinyl)methyl)-4-pyrimidinamine?
Yes, KEHONG BIO provides custom synthesis services for N-Allyl-2-phenyl-6-((phenylsulfinyl)methyl)-4-pyrimidinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.