AB01314771-01
TL;DR: AB01314771-01 (CAS 840463-97-0) is a chemical compound with molecular formula C21H21BrN4O2 and molecular weight 440.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(9-bromo-2-pyridin-4-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-1'-yl)ethanone
Also Known As: AB01314771-01, 1-[9'-bromo-2'-(pyridin-4-yl)-1',10b'-dihydro-1H-spiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-1-yl]ethanone, 1-(9-bromo-2-(pyridin-4-yl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone, 1-(9-bromo-2-pyridin-4-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-1'-yl)ethanone
| Molecular Formula | C21H21BrN4O2 |
|---|---|
| Molecular Weight | 440.08 g/mol |
| LogP | 3.7262 |
| Topological Polar Surface Area | 58.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 440.08478 |
| Heavy Atoms | 28 |
| Complexity | 954.1329 |
Chemical Identifiers
| CAS Number | 840463-97-0 |
|---|---|
| SMILES | CC(=O)N1CCC2(CC1)N3C(CC(=N3)C4=CC=NC=C4)C5=C(O2)C=CC(=C5)Br |
Product Overview
AB01314771-01 (CAS 840463-97-0), with molecular formula C21H21BrN4O2 and molecular weight 440.08 g/mol. IUPAC: 1-(9-bromo-2-pyridin-4-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-1'-yl)ethanone.
Chemical Property Profile of AB01314771-01
Property Insights of AB01314771-01
The XLogP value of 3.7262 indicates that AB01314771-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.03 Ų, AB01314771-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB01314771-01 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 AB01314771-01?
The CAS number of AB01314771-01 is 840463-97-0.
What is the molecular formula of AB01314771-01?
The molecular formula of AB01314771-01 is C21H21BrN4O2.
What is the molecular weight of AB01314771-01?
The molecular weight of AB01314771-01 is 440.08 g/mol.
Where can I buy AB01314771-01?
You can request a quote for AB01314771-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01314771-01?
Yes, KEHONG BIO provides custom synthesis services for AB01314771-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.