VU0496830-1
TL;DR: VU0496830-1 (CAS 899985-67-2) is a chemical compound with molecular formula C20H20ClN5O2 and molecular weight 397.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]ethanone
Also Known As: VU0496830-1, F2759-0186, 1-(4-{4-chloro-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl}piperazin-1-yl)ethan-1-one, 1-[4-(4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]ethanone, 1-(4-(4-chloro-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl)ethanone
| Molecular Formula | C20H20ClN5O2 |
|---|---|
| Molecular Weight | 397.13 g/mol |
| LogP | 2.68662 |
| Topological Polar Surface Area | 71.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 397.13055 |
| Heavy Atoms | 28 |
| Complexity | 1055.3933 |
Chemical Identifiers
| CAS Number | 899985-67-2 |
|---|---|
| SMILES | CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)N3CCN(CC3)C(=O)C)C4=CC=CC=C4 |
Product Overview
VU0496830-1 (CAS 899985-67-2), with molecular formula C20H20ClN5O2 and molecular weight 397.13 g/mol. IUPAC: 1-[4-(4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]ethanone.
Chemical Property Profile of VU0496830-1
Property Insights of VU0496830-1
The XLogP value of 2.68662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0496830-1. The TPSA of 71.33 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0496830-1. Following Lipinski's Rule of Five, VU0496830-1 has 0 hydrogen bond donor(s) and 4 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 VU0496830-1?
The CAS number of VU0496830-1 is 899985-67-2.
What is the molecular formula of VU0496830-1?
The molecular formula of VU0496830-1 is C20H20ClN5O2.
What is the molecular weight of VU0496830-1?
The molecular weight of VU0496830-1 is 397.13 g/mol.
Where can I buy VU0496830-1?
You can request a quote for VU0496830-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0496830-1?
Yes, KEHONG BIO provides custom synthesis services for VU0496830-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.