![(4Z)-1-(4-chlorophenyl)-7,7-dimethyl-4-[(2-methylphenyl)imino]-8-oxa-1,3-diazaspiro[4.5]dec-2-ene-2-thiol structure](/static/products/577/577787-99-6.png)
(4Z)-1-(4-chlorophenyl)-7,7-dimethyl-4-[(2-methylphenyl)imino]-8-oxa-1,3-diazaspiro[4.5]dec-2-ene-2-thiol
TL;DR: (4Z)-1-(4-chlorophenyl)-7,7-dimethyl-4-[(2-methylphenyl)imino]-8-oxa-1,3-diazaspiro[4.5]dec-2-ene-2-thiol (CAS 577787-99-6) is a chemical compound with molecular formula C22H24ClN3OS and molecular weight 413.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-7,7-dimethyl-4-(2-methylanilino)-8-oxa-1,3-diazaspiro[4.5]dec-3-ene-2-thione
Also Known As: (4Z)-1-(4-chlorophenyl)-7,7-dimethyl-4-[(2-methylphenyl)imino]-8-oxa-1,3-diazaspiro[4.5]dec-2-ene-2-thiol, (Z)-1-(4-chlorophenyl)-7,7-dimethyl-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decane-2-thione, 4-(4-chlorophenyl)-9,9-dimethyl-1-(2-methylanilino)-8-oxa-2,4-diazaspiro[4.5]dec-1-ene-3-thione
| Molecular Formula | C22H24ClN3OS |
|---|---|
| Molecular Weight | 413.13 g/mol |
| LogP | 5.59172 |
| Topological Polar Surface Area | 36.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 413.13287 |
| Heavy Atoms | 28 |
| Complexity | 941.053 |
Chemical Identifiers
| CAS Number | 577787-99-6 |
|---|---|
| SMILES | CC1=CC=CC=C1NC2=NC(=S)N(C23CCOC(C3)(C)C)C4=CC=C(C=C4)Cl |
Product Overview
(4Z)-1-(4-chlorophenyl)-7,7-dimethyl-4-[(2-methylphenyl)imino]-8-oxa-1,3-diazaspiro[4.5]dec-2-ene-2-thiol (CAS 577787-99-6), with molecular formula C22H24ClN3OS and molecular weight 413.13 g/mol. IUPAC: 1-(4-chlorophenyl)-7,7-dimethyl-4-(2-methylanilino)-8-oxa-1,3-diazaspiro[4.5]dec-3-ene-2-thione.
Chemical Property Profile of (4Z)-1-(4-chlorophenyl)-7,7-dimethyl-4-[(2-methylphenyl)imino]-8-oxa-1,3-diazaspiro[4.5]dec-2-ene-2-thiol
Property Insights of (4Z)-1-(4-chlorophenyl)-7,7-dimethyl-4-[(2-methylphenyl)imino]-8-oxa-1,3-diazaspiro[4.5]dec-2-ene-2-thiol
The XLogP value of 5.59172 indicates that (4Z)-1-(4-chlorophenyl)-7,7-dimethyl-4-[(2-methylphenyl)imino]-8-oxa-1,3-diazaspiro[4.5]dec-2-ene-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.86 Ų, (4Z)-1-(4-chlorophenyl)-7,7-dimethyl-4-[(2-methylphenyl)imino]-8-oxa-1,3-diazaspiro[4.5]dec-2-ene-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4Z)-1-(4-chlorophenyl)-7,7-dimethyl-4-[(2-methylphenyl)imino]-8-oxa-1,3-diazaspiro[4.5]dec-2-ene-2-thiol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4Z)-1-(4-chlorophenyl)-7,7-dimethyl-4-[(2-methylphenyl)imino]-8-oxa-1,3-diazaspiro[4.5]dec-2-ene-2-thiol?
The CAS number of (4Z)-1-(4-chlorophenyl)-7,7-dimethyl-4-[(2-methylphenyl)imino]-8-oxa-1,3-diazaspiro[4.5]dec-2-ene-2-thiol is 577787-99-6.
What is the molecular formula of (4Z)-1-(4-chlorophenyl)-7,7-dimethyl-4-[(2-methylphenyl)imino]-8-oxa-1,3-diazaspiro[4.5]dec-2-ene-2-thiol?
The molecular formula of (4Z)-1-(4-chlorophenyl)-7,7-dimethyl-4-[(2-methylphenyl)imino]-8-oxa-1,3-diazaspiro[4.5]dec-2-ene-2-thiol is C22H24ClN3OS.
What is the molecular weight of (4Z)-1-(4-chlorophenyl)-7,7-dimethyl-4-[(2-methylphenyl)imino]-8-oxa-1,3-diazaspiro[4.5]dec-2-ene-2-thiol?
The molecular weight of (4Z)-1-(4-chlorophenyl)-7,7-dimethyl-4-[(2-methylphenyl)imino]-8-oxa-1,3-diazaspiro[4.5]dec-2-ene-2-thiol is 413.13 g/mol.
Where can I buy (4Z)-1-(4-chlorophenyl)-7,7-dimethyl-4-[(2-methylphenyl)imino]-8-oxa-1,3-diazaspiro[4.5]dec-2-ene-2-thiol?
You can request a quote for (4Z)-1-(4-chlorophenyl)-7,7-dimethyl-4-[(2-methylphenyl)imino]-8-oxa-1,3-diazaspiro[4.5]dec-2-ene-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4Z)-1-(4-chlorophenyl)-7,7-dimethyl-4-[(2-methylphenyl)imino]-8-oxa-1,3-diazaspiro[4.5]dec-2-ene-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for (4Z)-1-(4-chlorophenyl)-7,7-dimethyl-4-[(2-methylphenyl)imino]-8-oxa-1,3-diazaspiro[4.5]dec-2-ene-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.