AB01310605-01
TL;DR: AB01310605-01 (CAS 890096-45-4) is a chemical compound with molecular formula C22H21BrClN3O2 and molecular weight 473.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[9-bromo-2-(4-chlorophenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-1'-yl]ethanone
Also Known As: AB01310605-01, 1-[9'-bromo-2'-(4-chlorophenyl)-1',10b'-dihydro-1H-spiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-1-yl]ethanone, 1-(9-bromo-2-(4-chlorophenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone, 1-[9-bromo-2-(4-chlorophenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-1'-yl]ethanone
| Molecular Formula | C22H21BrClN3O2 |
|---|---|
| Molecular Weight | 473.05 g/mol |
| LogP | 4.9846 |
| Topological Polar Surface Area | 45.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 473.05057 |
| Heavy Atoms | 29 |
| Complexity | 999.617 |
Chemical Identifiers
| CAS Number | 890096-45-4 |
|---|---|
| SMILES | CC(=O)N1CCC2(CC1)N3C(CC(=N3)C4=CC=C(C=C4)Cl)C5=C(O2)C=CC(=C5)Br |
Product Overview
AB01310605-01 (CAS 890096-45-4), with molecular formula C22H21BrClN3O2 and molecular weight 473.05 g/mol. IUPAC: 1-[9-bromo-2-(4-chlorophenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-1'-yl]ethanone.
Chemical Property Profile of AB01310605-01
Property Insights of AB01310605-01
The XLogP value of 4.9846 indicates that AB01310605-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.14 Ų, AB01310605-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB01310605-01 has 0 hydrogen bond donor(s) and 4 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 AB01310605-01?
The CAS number of AB01310605-01 is 890096-45-4.
What is the molecular formula of AB01310605-01?
The molecular formula of AB01310605-01 is C22H21BrClN3O2.
What is the molecular weight of AB01310605-01?
The molecular weight of AB01310605-01 is 473.05 g/mol.
Where can I buy AB01310605-01?
You can request a quote for AB01310605-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01310605-01?
Yes, KEHONG BIO provides custom synthesis services for AB01310605-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.