VU0496804-1
TL;DR: VU0496804-1 (CAS 899746-06-6) is a chemical compound with molecular formula C23H19ClN4O and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
Also Known As: VU0496804-1, F2759-0062, 2-{4-chloro-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl}-1,2,3,4-tetrahydroisoquinoline, (4-chloro-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone, (4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
| Molecular Formula | C23H19ClN4O |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 4.58082 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 402.12473 |
| Heavy Atoms | 29 |
| Complexity | 1232.6005 |
Chemical Identifiers
| CAS Number | 899746-06-6 |
|---|---|
| SMILES | CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)N3CCC4=CC=CC=C4C3)C5=CC=CC=C5 |
Product Overview
VU0496804-1 (CAS 899746-06-6), with molecular formula C23H19ClN4O and molecular weight 402.12 g/mol. IUPAC: (4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
Chemical Property Profile of VU0496804-1
Property Insights of VU0496804-1
The XLogP value of 4.58082 indicates that VU0496804-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.02 Ų, VU0496804-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0496804-1 has 0 hydrogen bond donor(s) and 3 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 VU0496804-1?
The CAS number of VU0496804-1 is 899746-06-6.
What is the molecular formula of VU0496804-1?
The molecular formula of VU0496804-1 is C23H19ClN4O.
What is the molecular weight of VU0496804-1?
The molecular weight of VU0496804-1 is 402.12 g/mol.
Where can I buy VU0496804-1?
You can request a quote for VU0496804-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0496804-1?
Yes, KEHONG BIO provides custom synthesis services for VU0496804-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.