VU0499744-1
TL;DR: VU0499744-1 (CAS 840462-13-7) is a chemical compound with molecular formula C20H20BrN3O2S and molecular weight 445.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(9-bromo-2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-1'-yl)ethanone
Also Known As: VU0499744-1, 1-(9-bromo-2-(thiophen-2-yl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone, F2801-0250, 1-(9-bromo-2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-1'-yl)ethanone, 1-[12'-bromo-4'-(thiophen-2-yl)-8'-oxa-5',6'-diazaspiro[piperidine-4,7'-tricyclo[7.4.0.0^{2,6}]tridecane]-1'(9'),4',10',12'-tetraen-1-yl]ethan-1-one
| Molecular Formula | C20H20BrN3O2S |
|---|---|
| Molecular Weight | 445.05 g/mol |
| LogP | 4.3927 |
| Topological Polar Surface Area | 45.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 445.04596 |
| Heavy Atoms | 27 |
| Complexity | 919.313 |
Chemical Identifiers
| CAS Number | 840462-13-7 |
|---|---|
| SMILES | CC(=O)N1CCC2(CC1)N3C(CC(=N3)C4=CC=CS4)C5=C(O2)C=CC(=C5)Br |
Product Overview
VU0499744-1 (CAS 840462-13-7), with molecular formula C20H20BrN3O2S and molecular weight 445.05 g/mol. IUPAC: 1-(9-bromo-2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-1'-yl)ethanone.
Chemical Property Profile of VU0499744-1
Property Insights of VU0499744-1
The XLogP value of 4.3927 indicates that VU0499744-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.14 Ų, VU0499744-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0499744-1 has 0 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 VU0499744-1?
The CAS number of VU0499744-1 is 840462-13-7.
What is the molecular formula of VU0499744-1?
The molecular formula of VU0499744-1 is C20H20BrN3O2S.
What is the molecular weight of VU0499744-1?
The molecular weight of VU0499744-1 is 445.05 g/mol.
Where can I buy VU0499744-1?
You can request a quote for VU0499744-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0499744-1?
Yes, KEHONG BIO provides custom synthesis services for VU0499744-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.