![(4E)-4-(1'-benzylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one structure](/static/products/487/487022-22-0.png)
(4E)-4-(1'-benzylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one
TL;DR: (4E)-4-(1'-benzylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one (CAS 487022-22-0) is a chemical compound with molecular formula C28H29N3O3 and molecular weight 455.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1'-benzylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-yl)-2-methoxyphenol
Also Known As: (4E)-4-(1'-benzylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one, 4-(1'-benzyl-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-2-yl)-2-methoxyphenol, 4-(1'-benzylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one, 4-(1-benzyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)-2-methoxyphenol
| Molecular Formula | C28H29N3O3 |
|---|---|
| Molecular Weight | 455.22 g/mol |
| LogP | 4.9366 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.2209 |
| Heavy Atoms | 34 |
| Complexity | 1218.5758 |
Chemical Identifiers
| CAS Number | 487022-22-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=NN3C(C2)C4=CC=CC=C4OC35CCN(CC5)CC6=CC=CC=C6)O |
Product Overview
(4E)-4-(1'-benzylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one (CAS 487022-22-0), with molecular formula C28H29N3O3 and molecular weight 455.22 g/mol. IUPAC: 4-(1'-benzylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-yl)-2-methoxyphenol.
Chemical Property Profile of (4E)-4-(1'-benzylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one
Property Insights of (4E)-4-(1'-benzylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one
The XLogP value of 4.9366 indicates that (4E)-4-(1'-benzylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, (4E)-4-(1'-benzylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4E)-4-(1'-benzylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one has 1 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 (4E)-4-(1'-benzylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one?
The CAS number of (4E)-4-(1'-benzylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one is 487022-22-0.
What is the molecular formula of (4E)-4-(1'-benzylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one?
The molecular formula of (4E)-4-(1'-benzylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one is C28H29N3O3.
What is the molecular weight of (4E)-4-(1'-benzylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one?
The molecular weight of (4E)-4-(1'-benzylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one is 455.22 g/mol.
Where can I buy (4E)-4-(1'-benzylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one?
You can request a quote for (4E)-4-(1'-benzylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-4-(1'-benzylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-(1'-benzylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.