![(4Z)-2-methoxy-4-(1'-methylsulfonylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)cyclohexa-2,5-dien-1-one structure](/static/products/714/714918-98-6.png)
(4Z)-2-methoxy-4-(1'-methylsulfonylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)cyclohexa-2,5-dien-1-one
TL;DR: (4Z)-2-methoxy-4-(1'-methylsulfonylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)cyclohexa-2,5-dien-1-one (CAS 714918-98-6) is a chemical compound with molecular formula C22H25N3O5S and molecular weight 443.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-4-(1'-methylsulfonylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-yl)phenol
Also Known As: (4Z)-2-methoxy-4-(1'-methylsulfonylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)cyclohexa-2,5-dien-1-one, 2-methoxy-4-(1'-(methylsulfonyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-2-yl)phenol, 2-methoxy-4-(1'-methylsulfonylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)cyclohexa-2,5-dien-1-one, 2-methoxy-4-[1-(methylsulfonyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl]phenol
| Molecular Formula | C22H25N3O5S |
|---|---|
| Molecular Weight | 443.15 g/mol |
| LogP | 2.696 |
| Topological Polar Surface Area | 91.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 443.1515 |
| Heavy Atoms | 31 |
| Complexity | 1155.4863 |
Chemical Identifiers
| CAS Number | 714918-98-6 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=NN3C(C2)C4=CC=CC=C4OC35CCN(CC5)S(=O)(=O)C)O |
Product Overview
(4Z)-2-methoxy-4-(1'-methylsulfonylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)cyclohexa-2,5-dien-1-one (CAS 714918-98-6), with molecular formula C22H25N3O5S and molecular weight 443.15 g/mol. IUPAC: 2-methoxy-4-(1'-methylsulfonylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-yl)phenol.
Chemical Property Profile of (4Z)-2-methoxy-4-(1'-methylsulfonylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)cyclohexa-2,5-dien-1-one
Property Insights of (4Z)-2-methoxy-4-(1'-methylsulfonylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)cyclohexa-2,5-dien-1-one
The XLogP value of 2.696 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4Z)-2-methoxy-4-(1'-methylsulfonylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)cyclohexa-2,5-dien-1-one. The TPSA of 91.67 Ų falls within the moderate polarity range, balancing permeability and solubility for (4Z)-2-methoxy-4-(1'-methylsulfonylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)cyclohexa-2,5-dien-1-one. Following Lipinski's Rule of Five, (4Z)-2-methoxy-4-(1'-methylsulfonylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)cyclohexa-2,5-dien-1-one has 1 hydrogen bond donor(s) and 7 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 (4Z)-2-methoxy-4-(1'-methylsulfonylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)cyclohexa-2,5-dien-1-one?
The CAS number of (4Z)-2-methoxy-4-(1'-methylsulfonylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)cyclohexa-2,5-dien-1-one is 714918-98-6.
What is the molecular formula of (4Z)-2-methoxy-4-(1'-methylsulfonylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)cyclohexa-2,5-dien-1-one?
The molecular formula of (4Z)-2-methoxy-4-(1'-methylsulfonylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)cyclohexa-2,5-dien-1-one is C22H25N3O5S.
What is the molecular weight of (4Z)-2-methoxy-4-(1'-methylsulfonylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)cyclohexa-2,5-dien-1-one?
The molecular weight of (4Z)-2-methoxy-4-(1'-methylsulfonylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)cyclohexa-2,5-dien-1-one is 443.15 g/mol.
Where can I buy (4Z)-2-methoxy-4-(1'-methylsulfonylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)cyclohexa-2,5-dien-1-one?
You can request a quote for (4Z)-2-methoxy-4-(1'-methylsulfonylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)cyclohexa-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 (4Z)-2-methoxy-4-(1'-methylsulfonylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)cyclohexa-2,5-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for (4Z)-2-methoxy-4-(1'-methylsulfonylspiro[3,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-2-ylidene)cyclohexa-2,5-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.