VU0496838-1
TL;DR: VU0496838-1 (CAS 899746-59-9) is a chemical compound with molecular formula C20H18ClFN6O and molecular weight 412.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
Also Known As: VU0496838-1, F2759-0246, 4-chloro-1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide, N-(3-(1H-imidazol-1-yl)propyl)-4-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
| Molecular Formula | C20H18ClFN6O |
|---|---|
| Molecular Weight | 412.12 g/mol |
| LogP | 3.53802 |
| Topological Polar Surface Area | 77.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.12146 |
| Heavy Atoms | 29 |
| Complexity | 1154.1547 |
Chemical Identifiers
| CAS Number | 899746-59-9 |
|---|---|
| SMILES | CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)NCCCN3C=CN=C3)C4=CC=C(C=C4)F |
Product Overview
VU0496838-1 (CAS 899746-59-9), with molecular formula C20H18ClFN6O and molecular weight 412.12 g/mol. IUPAC: 4-chloro-1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide.
Chemical Property Profile of VU0496838-1
Property Insights of VU0496838-1
The XLogP value of 3.53802 indicates that VU0496838-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.63 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0496838-1. Following Lipinski's Rule of Five, VU0496838-1 has 1 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 VU0496838-1?
The CAS number of VU0496838-1 is 899746-59-9.
What is the molecular formula of VU0496838-1?
The molecular formula of VU0496838-1 is C20H18ClFN6O.
What is the molecular weight of VU0496838-1?
The molecular weight of VU0496838-1 is 412.12 g/mol.
Where can I buy VU0496838-1?
You can request a quote for VU0496838-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0496838-1?
Yes, KEHONG BIO provides custom synthesis services for VU0496838-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.