VU0499738-1
TL;DR: VU0499738-1 (CAS 489402-82-6) is a chemical compound with molecular formula C22H22BrN3O3 and molecular weight 455.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-9-bromo-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
Also Known As: VU0499738-1, 2-(benzo[d][1,3]dioxol-5-yl)-9-bromo-1'-methyl-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine], F2801-0077, 4'-(2H-1,3-benzodioxol-5-yl)-12'-bromo-1-methyl-8'-oxa-5',6'-diazaspiro[piperidine-4,7'-tricyclo[7.4.0.0^{2,6}]tridecane]-1'(9'),4',10',12'-tetraene, 2-(1,3-benzodioxol-5-yl)-9-bromo-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
| Molecular Formula | C22H22BrN3O3 |
|---|---|
| Molecular Weight | 455.08 g/mol |
| LogP | 4.1432 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 455.08444 |
| Heavy Atoms | 29 |
| Complexity | 1016.35724 |
Chemical Identifiers
| CAS Number | 489402-82-6 |
|---|---|
| SMILES | CN1CCC2(CC1)N3C(CC(=N3)C4=CC5=C(C=C4)OCO5)C6=C(O2)C=CC(=C6)Br |
Product Overview
VU0499738-1 (CAS 489402-82-6), with molecular formula C22H22BrN3O3 and molecular weight 455.08 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-9-bromo-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine].
Chemical Property Profile of VU0499738-1
Property Insights of VU0499738-1
The XLogP value of 4.1432 indicates that VU0499738-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, VU0499738-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0499738-1 has 0 hydrogen bond donor(s) and 6 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 VU0499738-1?
The CAS number of VU0499738-1 is 489402-82-6.
What is the molecular formula of VU0499738-1?
The molecular formula of VU0499738-1 is C22H22BrN3O3.
What is the molecular weight of VU0499738-1?
The molecular weight of VU0499738-1 is 455.08 g/mol.
Where can I buy VU0499738-1?
You can request a quote for VU0499738-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0499738-1?
Yes, KEHONG BIO provides custom synthesis services for VU0499738-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.