![4-[3,4-dihydro-2(1H)-isoquinolinyl]-6-[(4-fluorophenyl)sulfanyl]-2-pyrimidinamine structure](/static/products/3390/339017-67-3.webp)
4-[3,4-dihydro-2(1H)-isoquinolinyl]-6-[(4-fluorophenyl)sulfanyl]-2-pyrimidinamine
TL;DR: 4-[3,4-dihydro-2(1H)-isoquinolinyl]-6-[(4-fluorophenyl)sulfanyl]-2-pyrimidinamine (CAS 339017-67-3) is a chemical compound with molecular formula C19H17FN4S and molecular weight 352.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-fluorophenyl)sulfanylpyrimidin-2-amine
Also Known As: 4-[3,4-dihydro-2(1H)-isoquinolinyl]-6-[(4-fluorophenyl)sulfanyl]-2-pyrimidinamine, 7M-810, 4-[(4-fluorophenyl)sulfanyl]-6-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidin-2-amine, 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-fluorophenyl)sulfanylpyrimidin-2-amine, 2-[2-AMINO-4-(4-FLUOROPHENYLTHIO)-6-PYRIMIDINYL]-1,2,3,4-TETRAHYDROISOQUINOLINE
| Molecular Formula | C19H17FN4S |
|---|---|
| Molecular Weight | 352.12 g/mol |
| LogP | 3.9118 |
| Topological Polar Surface Area | 55.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.11578 |
| Heavy Atoms | 25 |
| Complexity | 898.18085 |
Chemical Identifiers
| CAS Number | 339017-67-3 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C3=CC(=NC(=N3)N)SC4=CC=C(C=C4)F |
Product Overview
4-[3,4-dihydro-2(1H)-isoquinolinyl]-6-[(4-fluorophenyl)sulfanyl]-2-pyrimidinamine (CAS 339017-67-3), with molecular formula C19H17FN4S and molecular weight 352.12 g/mol. IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-fluorophenyl)sulfanylpyrimidin-2-amine.
Chemical Property Profile of 4-[3,4-dihydro-2(1H)-isoquinolinyl]-6-[(4-fluorophenyl)sulfanyl]-2-pyrimidinamine
Property Insights of 4-[3,4-dihydro-2(1H)-isoquinolinyl]-6-[(4-fluorophenyl)sulfanyl]-2-pyrimidinamine
The XLogP value of 3.9118 indicates that 4-[3,4-dihydro-2(1H)-isoquinolinyl]-6-[(4-fluorophenyl)sulfanyl]-2-pyrimidinamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.04 Ų, 4-[3,4-dihydro-2(1H)-isoquinolinyl]-6-[(4-fluorophenyl)sulfanyl]-2-pyrimidinamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[3,4-dihydro-2(1H)-isoquinolinyl]-6-[(4-fluorophenyl)sulfanyl]-2-pyrimidinamine has 1 hydrogen bond donor(s) and 5 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 4-[3,4-dihydro-2(1H)-isoquinolinyl]-6-[(4-fluorophenyl)sulfanyl]-2-pyrimidinamine?
The CAS number of 4-[3,4-dihydro-2(1H)-isoquinolinyl]-6-[(4-fluorophenyl)sulfanyl]-2-pyrimidinamine is 339017-67-3.
What is the molecular formula of 4-[3,4-dihydro-2(1H)-isoquinolinyl]-6-[(4-fluorophenyl)sulfanyl]-2-pyrimidinamine?
The molecular formula of 4-[3,4-dihydro-2(1H)-isoquinolinyl]-6-[(4-fluorophenyl)sulfanyl]-2-pyrimidinamine is C19H17FN4S.
What is the molecular weight of 4-[3,4-dihydro-2(1H)-isoquinolinyl]-6-[(4-fluorophenyl)sulfanyl]-2-pyrimidinamine?
The molecular weight of 4-[3,4-dihydro-2(1H)-isoquinolinyl]-6-[(4-fluorophenyl)sulfanyl]-2-pyrimidinamine is 352.12 g/mol.
Where can I buy 4-[3,4-dihydro-2(1H)-isoquinolinyl]-6-[(4-fluorophenyl)sulfanyl]-2-pyrimidinamine?
You can request a quote for 4-[3,4-dihydro-2(1H)-isoquinolinyl]-6-[(4-fluorophenyl)sulfanyl]-2-pyrimidinamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3,4-dihydro-2(1H)-isoquinolinyl]-6-[(4-fluorophenyl)sulfanyl]-2-pyrimidinamine?
Yes, KEHONG BIO provides custom synthesis services for 4-[3,4-dihydro-2(1H)-isoquinolinyl]-6-[(4-fluorophenyl)sulfanyl]-2-pyrimidinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.