VU0496813-1
TL;DR: VU0496813-1 (CAS 899985-44-5) is a chemical compound with molecular formula C21H15ClN4O3 and molecular weight 406.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
Also Known As: VU0496813-1, F2759-0082, N-(1,3-benzodioxol-5-yl)-4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide, N-(2H-1,3-benzodioxol-5-yl)-4-chloro-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxamide, N-(benzo[d][1,3]dioxol-5-yl)-4-chloro-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
| Molecular Formula | C21H15ClN4O3 |
|---|---|
| Molecular Weight | 406.08 g/mol |
| LogP | 4.36332 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.08328 |
| Heavy Atoms | 29 |
| Complexity | 1254.0088 |
Chemical Identifiers
| CAS Number | 899985-44-5 |
|---|---|
| SMILES | CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5 |
Product Overview
VU0496813-1 (CAS 899985-44-5), with molecular formula C21H15ClN4O3 and molecular weight 406.08 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide.
Chemical Property Profile of VU0496813-1
Property Insights of VU0496813-1
The XLogP value of 4.36332 indicates that VU0496813-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0496813-1. Following Lipinski's Rule of Five, VU0496813-1 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 VU0496813-1?
The CAS number of VU0496813-1 is 899985-44-5.
What is the molecular formula of VU0496813-1?
The molecular formula of VU0496813-1 is C21H15ClN4O3.
What is the molecular weight of VU0496813-1?
The molecular weight of VU0496813-1 is 406.08 g/mol.
Where can I buy VU0496813-1?
You can request a quote for VU0496813-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0496813-1?
Yes, KEHONG BIO provides custom synthesis services for VU0496813-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.