BRD-K64077296-001-01-7
TL;DR: BRD-K64077296-001-01-7 (CAS 393785-65-4) is a chemical compound with molecular formula C19H17N5S and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Also Known As: BRD-K64077296-001-01-7, N-[(4E)-1-(3-methylphenyl)-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ylidene]-2-(methylsulfanyl)aniline, [1-(3-methylphenyl)pyrazolo[4,5-e]pyrimidin-4-yl](2-methylthiophenyl)amine, N-(2-(methylthio)phenyl)-1-(m-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, 1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
| Molecular Formula | C19H17N5S |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 4.58942 |
| Topological Polar Surface Area | 55.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.12045 |
| Heavy Atoms | 25 |
| Complexity | 1040.8612 |
Chemical Identifiers
| CAS Number | 393785-65-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C3=NC=NC(=C3C=N2)NC4=CC=CC=C4SC |
Product Overview
BRD-K64077296-001-01-7 (CAS 393785-65-4), with molecular formula C19H17N5S and molecular weight 347.12 g/mol. IUPAC: 1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
Chemical Property Profile of BRD-K64077296-001-01-7
Property Insights of BRD-K64077296-001-01-7
The XLogP value of 4.58942 indicates that BRD-K64077296-001-01-7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.63 Ų, BRD-K64077296-001-01-7 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BRD-K64077296-001-01-7 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 BRD-K64077296-001-01-7?
The CAS number of BRD-K64077296-001-01-7 is 393785-65-4.
What is the molecular formula of BRD-K64077296-001-01-7?
The molecular formula of BRD-K64077296-001-01-7 is C19H17N5S.
What is the molecular weight of BRD-K64077296-001-01-7?
The molecular weight of BRD-K64077296-001-01-7 is 347.12 g/mol.
Where can I buy BRD-K64077296-001-01-7?
You can request a quote for BRD-K64077296-001-01-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K64077296-001-01-7?
Yes, KEHONG BIO provides custom synthesis services for BRD-K64077296-001-01-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.