![1-anilino-4-(4-bromophenyl)-9,9-dimethyl-8-oxa-2,4-diazaspiro[4.5]dec-1-ene-3-thione structure](/static/products/577/577999-70-3.png)
1-anilino-4-(4-bromophenyl)-9,9-dimethyl-8-oxa-2,4-diazaspiro[4.5]dec-1-ene-3-thione
TL;DR: 1-anilino-4-(4-bromophenyl)-9,9-dimethyl-8-oxa-2,4-diazaspiro[4.5]dec-1-ene-3-thione (CAS 577999-70-3) is a chemical compound with molecular formula C21H22BrN3OS and molecular weight 443.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-1-(4-bromophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-ene-2-thione
Also Known As: 1-anilino-4-(4-bromophenyl)-9,9-dimethyl-8-oxa-2,4-diazaspiro[4.5]dec-1-ene-3-thione, (4Z)-1-(4-bromophenyl)-7,7-dimethyl-4-(phenylimino)-8-oxa-1,3-diazaspiro[4.5]dec-2-ene-2-thiol, (Z)-1-(4-bromophenyl)-7,7-dimethyl-4-(phenylimino)-8-oxa-1,3-diazaspiro[4.5]decane-2-thione
| Molecular Formula | C21H22BrN3OS |
|---|---|
| Molecular Weight | 443.07 g/mol |
| LogP | 5.3924 |
| Topological Polar Surface Area | 36.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 443.0667 |
| Heavy Atoms | 27 |
| Complexity | 882.0596 |
Chemical Identifiers
| CAS Number | 577999-70-3 |
|---|---|
| SMILES | CC1(CC2(CCO1)C(=NC(=S)N2C3=CC=C(C=C3)Br)NC4=CC=CC=C4)C |
Product Overview
1-anilino-4-(4-bromophenyl)-9,9-dimethyl-8-oxa-2,4-diazaspiro[4.5]dec-1-ene-3-thione (CAS 577999-70-3), with molecular formula C21H22BrN3OS and molecular weight 443.07 g/mol. IUPAC: 4-anilino-1-(4-bromophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-ene-2-thione.
Chemical Property Profile of 1-anilino-4-(4-bromophenyl)-9,9-dimethyl-8-oxa-2,4-diazaspiro[4.5]dec-1-ene-3-thione
Property Insights of 1-anilino-4-(4-bromophenyl)-9,9-dimethyl-8-oxa-2,4-diazaspiro[4.5]dec-1-ene-3-thione
The XLogP value of 5.3924 indicates that 1-anilino-4-(4-bromophenyl)-9,9-dimethyl-8-oxa-2,4-diazaspiro[4.5]dec-1-ene-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.86 Ų, 1-anilino-4-(4-bromophenyl)-9,9-dimethyl-8-oxa-2,4-diazaspiro[4.5]dec-1-ene-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-anilino-4-(4-bromophenyl)-9,9-dimethyl-8-oxa-2,4-diazaspiro[4.5]dec-1-ene-3-thione 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 1-anilino-4-(4-bromophenyl)-9,9-dimethyl-8-oxa-2,4-diazaspiro[4.5]dec-1-ene-3-thione?
The CAS number of 1-anilino-4-(4-bromophenyl)-9,9-dimethyl-8-oxa-2,4-diazaspiro[4.5]dec-1-ene-3-thione is 577999-70-3.
What is the molecular formula of 1-anilino-4-(4-bromophenyl)-9,9-dimethyl-8-oxa-2,4-diazaspiro[4.5]dec-1-ene-3-thione?
The molecular formula of 1-anilino-4-(4-bromophenyl)-9,9-dimethyl-8-oxa-2,4-diazaspiro[4.5]dec-1-ene-3-thione is C21H22BrN3OS.
What is the molecular weight of 1-anilino-4-(4-bromophenyl)-9,9-dimethyl-8-oxa-2,4-diazaspiro[4.5]dec-1-ene-3-thione?
The molecular weight of 1-anilino-4-(4-bromophenyl)-9,9-dimethyl-8-oxa-2,4-diazaspiro[4.5]dec-1-ene-3-thione is 443.07 g/mol.
Where can I buy 1-anilino-4-(4-bromophenyl)-9,9-dimethyl-8-oxa-2,4-diazaspiro[4.5]dec-1-ene-3-thione?
You can request a quote for 1-anilino-4-(4-bromophenyl)-9,9-dimethyl-8-oxa-2,4-diazaspiro[4.5]dec-1-ene-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-anilino-4-(4-bromophenyl)-9,9-dimethyl-8-oxa-2,4-diazaspiro[4.5]dec-1-ene-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-anilino-4-(4-bromophenyl)-9,9-dimethyl-8-oxa-2,4-diazaspiro[4.5]dec-1-ene-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.