amine structure](/static/products/7534/753468-49-4.webp)
[4-(Difluoromethylthio)phenyl](1-methylpyrazolo[4,5-e]pyrimidin-4-yl)amine
TL;DR: [4-(Difluoromethylthio)phenyl](1-methylpyrazolo[4,5-e]pyrimidin-4-yl)amine (CAS 753468-49-4) is a chemical compound with molecular formula C13H11F2N5S and molecular weight 307.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(difluoromethylsulfanyl)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
Also Known As: AB00724896-01, BRD-K10802464-001-01-9, [4-(difluoromethylthio)phenyl](1-methylpyrazolo[4,5-e]pyrimidin-4-yl)amine, N-{4-[(difluoromethyl)sulfanyl]phenyl}-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, N-(4-((difluoromethyl)thio)phenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
| Molecular Formula | C13H11F2N5S |
|---|---|
| Molecular Weight | 307.07 g/mol |
| LogP | 3.4216 |
| Topological Polar Surface Area | 55.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.0703 |
| Heavy Atoms | 21 |
| Complexity | 756.84753 |
Chemical Identifiers
| CAS Number | 753468-49-4 |
|---|---|
| SMILES | CN1C2=NC=NC(=C2C=N1)NC3=CC=C(C=C3)SC(F)F |
Product Overview
[4-(Difluoromethylthio)phenyl](1-methylpyrazolo[4,5-e]pyrimidin-4-yl)amine (CAS 753468-49-4), with molecular formula C13H11F2N5S and molecular weight 307.07 g/mol. IUPAC: N-[4-(difluoromethylsulfanyl)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
Chemical Property Profile of [4-(Difluoromethylthio)phenyl](1-methylpyrazolo[4,5-e]pyrimidin-4-yl)amine
Property Insights of [4-(Difluoromethylthio)phenyl](1-methylpyrazolo[4,5-e]pyrimidin-4-yl)amine
The XLogP value of 3.4216 indicates that [4-(Difluoromethylthio)phenyl](1-methylpyrazolo[4,5-e]pyrimidin-4-yl)amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.63 Ų, [4-(Difluoromethylthio)phenyl](1-methylpyrazolo[4,5-e]pyrimidin-4-yl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-(Difluoromethylthio)phenyl](1-methylpyrazolo[4,5-e]pyrimidin-4-yl)amine 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-(Difluoromethylthio)phenyl](1-methylpyrazolo[4,5-e]pyrimidin-4-yl)amine?
The CAS number of [4-(Difluoromethylthio)phenyl](1-methylpyrazolo[4,5-e]pyrimidin-4-yl)amine is 753468-49-4.
What is the molecular formula of [4-(Difluoromethylthio)phenyl](1-methylpyrazolo[4,5-e]pyrimidin-4-yl)amine?
The molecular formula of [4-(Difluoromethylthio)phenyl](1-methylpyrazolo[4,5-e]pyrimidin-4-yl)amine is C13H11F2N5S.
What is the molecular weight of [4-(Difluoromethylthio)phenyl](1-methylpyrazolo[4,5-e]pyrimidin-4-yl)amine?
The molecular weight of [4-(Difluoromethylthio)phenyl](1-methylpyrazolo[4,5-e]pyrimidin-4-yl)amine is 307.07 g/mol.
Where can I buy [4-(Difluoromethylthio)phenyl](1-methylpyrazolo[4,5-e]pyrimidin-4-yl)amine?
You can request a quote for [4-(Difluoromethylthio)phenyl](1-methylpyrazolo[4,5-e]pyrimidin-4-yl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(Difluoromethylthio)phenyl](1-methylpyrazolo[4,5-e]pyrimidin-4-yl)amine?
Yes, KEHONG BIO provides custom synthesis services for [4-(Difluoromethylthio)phenyl](1-methylpyrazolo[4,5-e]pyrimidin-4-yl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.