![(Z)-4-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one structure](/static/products/577/577985-71-8.png)
(Z)-4-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
TL;DR: (Z)-4-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one (CAS 577985-71-8) is a chemical compound with molecular formula C27H31N5O2S and molecular weight 489.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[7,7-dimethyl-4-(2-methylanilino)-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]dec-3-en-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: (Z)-4-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one, 4-[9,9-dimethyl-1-(2-methylanilino)-3-sulfanylidene-8-oxa-2,4-diazaspiro[4.5]dec-1-en-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one, 4-{(4Z)-7,7-dimethyl-4-[(2-methylphenyl)imino]-2-sulfanyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-1-yl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
| Molecular Formula | C27H31N5O2S |
|---|---|
| Molecular Weight | 489.22 g/mol |
| LogP | 4.73614 |
| Topological Polar Surface Area | 63.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 489.21985 |
| Heavy Atoms | 35 |
| Complexity | 1388.2982 |
Chemical Identifiers
| CAS Number | 577985-71-8 |
|---|---|
| SMILES | CC1=CC=CC=C1NC2=NC(=S)N(C23CCOC(C3)(C)C)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C |
Product Overview
(Z)-4-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one (CAS 577985-71-8), with molecular formula C27H31N5O2S and molecular weight 489.22 g/mol. IUPAC: 4-[7,7-dimethyl-4-(2-methylanilino)-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]dec-3-en-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of (Z)-4-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
Property Insights of (Z)-4-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
The XLogP value of 4.73614 indicates that (Z)-4-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.79 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one. Following Lipinski's Rule of Five, (Z)-4-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one has 1 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 (Z)-4-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
The CAS number of (Z)-4-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is 577985-71-8.
What is the molecular formula of (Z)-4-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
The molecular formula of (Z)-4-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is C27H31N5O2S.
What is the molecular weight of (Z)-4-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
The molecular weight of (Z)-4-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is 489.22 g/mol.
Where can I buy (Z)-4-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
You can request a quote for (Z)-4-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.