BRD-K29802766-001-01-3
TL;DR: BRD-K29802766-001-01-3 (CAS 393785-66-5) is a chemical compound with molecular formula C20H19N5S and molecular weight 361.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dimethylphenyl)-N-(2-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Also Known As: BRD-K29802766-001-01-3, N-[(4E)-1-(2,4-dimethylphenyl)-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ylidene]-2-(methylsulfanyl)aniline, 1-(2,4-dimethylphenyl)-N-[2-(methylsulfanyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, [1-(2,4-dimethylphenyl)pyrazolo[4,5-e]pyrimidin-4-yl](2-methylthiophenyl)amine, 1-(2,4-dimethylphenyl)-N-(2-(methylthio)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
| Molecular Formula | C20H19N5S |
|---|---|
| Molecular Weight | 361.14 g/mol |
| LogP | 4.89784 |
| Topological Polar Surface Area | 55.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.1361 |
| Heavy Atoms | 26 |
| Complexity | 1086.7068 |
Chemical Identifiers
| CAS Number | 393785-66-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C3=NC=NC(=C3C=N2)NC4=CC=CC=C4SC)C |
Product Overview
BRD-K29802766-001-01-3 (CAS 393785-66-5), with molecular formula C20H19N5S and molecular weight 361.14 g/mol. IUPAC: 1-(2,4-dimethylphenyl)-N-(2-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
Chemical Property Profile of BRD-K29802766-001-01-3
Property Insights of BRD-K29802766-001-01-3
The XLogP value of 4.89784 indicates that BRD-K29802766-001-01-3 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-K29802766-001-01-3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BRD-K29802766-001-01-3 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-K29802766-001-01-3?
The CAS number of BRD-K29802766-001-01-3 is 393785-66-5.
What is the molecular formula of BRD-K29802766-001-01-3?
The molecular formula of BRD-K29802766-001-01-3 is C20H19N5S.
What is the molecular weight of BRD-K29802766-001-01-3?
The molecular weight of BRD-K29802766-001-01-3 is 361.14 g/mol.
Where can I buy BRD-K29802766-001-01-3?
You can request a quote for BRD-K29802766-001-01-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K29802766-001-01-3?
Yes, KEHONG BIO provides custom synthesis services for BRD-K29802766-001-01-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.