![(Z)-2-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)acetonitrile structure](/static/products/578/578722-65-3.png)
(Z)-2-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)acetonitrile
TL;DR: (Z)-2-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)acetonitrile (CAS 578722-65-3) is a chemical compound with molecular formula C18H22N4OS and molecular weight 342.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7,7-dimethyl-4-(2-methylanilino)-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]dec-3-en-1-yl]acetonitrile
Also Known As: (Z)-2-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)acetonitrile, {(4Z)-7,7-dimethyl-4-[(2-methylphenyl)imino]-2-sulfanyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-1-yl}acetonitrile, 2-[9,9-dimethyl-1-(2-methylanilino)-3-sulfanylidene-8-oxa-2,4-diazaspiro[4.5]dec-1-en-4-yl]acetonitrile
| Molecular Formula | C18H22N4OS |
|---|---|
| Molecular Weight | 342.15 g/mol |
| LogP | 3.2573 |
| Topological Polar Surface Area | 60.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.15143 |
| Heavy Atoms | 24 |
| Complexity | 736.7795 |
Chemical Identifiers
| CAS Number | 578722-65-3 |
|---|---|
| SMILES | CC1=CC=CC=C1NC2=NC(=S)N(C23CCOC(C3)(C)C)CC#N |
Product Overview
(Z)-2-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)acetonitrile (CAS 578722-65-3), with molecular formula C18H22N4OS and molecular weight 342.15 g/mol. IUPAC: 2-[7,7-dimethyl-4-(2-methylanilino)-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]dec-3-en-1-yl]acetonitrile.
Chemical Property Profile of (Z)-2-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)acetonitrile
Property Insights of (Z)-2-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)acetonitrile
The XLogP value of 3.2573 indicates that (Z)-2-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.65 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)acetonitrile. Following Lipinski's Rule of Five, (Z)-2-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)acetonitrile 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)-2-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)acetonitrile?
The CAS number of (Z)-2-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)acetonitrile is 578722-65-3.
What is the molecular formula of (Z)-2-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)acetonitrile?
The molecular formula of (Z)-2-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)acetonitrile is C18H22N4OS.
What is the molecular weight of (Z)-2-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)acetonitrile?
The molecular weight of (Z)-2-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)acetonitrile is 342.15 g/mol.
Where can I buy (Z)-2-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)acetonitrile?
You can request a quote for (Z)-2-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.