BAS 04394172
TL;DR: BAS 04394172 (CAS 461017-87-8) is a chemical compound with molecular formula C19H21N5OS and molecular weight 367.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylpiperidin-1-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanone
Also Known As: BAS 04394172, F1874-0020, 1-(4-methylpiperidin-1-yl)-2-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}sulfanyl)ethan-1-one, 1-(4-methylpiperidin-1-yl)-2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone, 1-(4-methylpiperidin-1-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanone
| Molecular Formula | C19H21N5OS |
|---|---|
| Molecular Weight | 367.15 g/mol |
| LogP | 3.1661 |
| Topological Polar Surface Area | 63.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.14667 |
| Heavy Atoms | 26 |
| Complexity | 902.6933 |
Chemical Identifiers
| CAS Number | 461017-87-8 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4 |
Product Overview
BAS 04394172 (CAS 461017-87-8), with molecular formula C19H21N5OS and molecular weight 367.15 g/mol. IUPAC: 1-(4-methylpiperidin-1-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanone.
Chemical Property Profile of BAS 04394172
Property Insights of BAS 04394172
The XLogP value of 3.1661 indicates that BAS 04394172 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04394172. Following Lipinski's Rule of Five, BAS 04394172 has 0 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 BAS 04394172?
The CAS number of BAS 04394172 is 461017-87-8.
What is the molecular formula of BAS 04394172?
The molecular formula of BAS 04394172 is C19H21N5OS.
What is the molecular weight of BAS 04394172?
The molecular weight of BAS 04394172 is 367.15 g/mol.
Where can I buy BAS 04394172?
You can request a quote for BAS 04394172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04394172?
Yes, KEHONG BIO provides custom synthesis services for BAS 04394172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.