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4-Oxo-1-phenyl-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitrile
TL;DR: 4-Oxo-1-phenyl-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitrile (CAS 708998-62-3) is a chemical compound with molecular formula C16H17N3OS and molecular weight 299.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-5-phenyl-4-sulfanyl-1,5-diazaspiro[5.5]undec-3-ene-3-carbonitrile
Also Known As: BAS 09636954, 2-Mercapto-4-oxo-1-phenyl-1,5-diaza-spiro[5.5]undec-2-ene-3-carbonitrile, 4-oxo-1-phenyl-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitrile, 2-oxo-5-phenyl-4-sulfanyl-1,5-diazaspiro[5.5]undec-3-ene-3-carbonitrile, 8-oxo-11-phenyl-10-sulfanyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile
| Molecular Formula | C16H17N3OS |
|---|---|
| Molecular Weight | 299.11 g/mol |
| LogP | 2.94818 |
| Topological Polar Surface Area | 56.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 299.10922 |
| Heavy Atoms | 21 |
| Complexity | 626.67224 |
Chemical Identifiers
| CAS Number | 708998-62-3 |
|---|---|
| SMILES | C1CCC2(CC1)NC(=O)C(=C(N2C3=CC=CC=C3)S)C#N |
Product Overview
4-Oxo-1-phenyl-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitrile (CAS 708998-62-3), with molecular formula C16H17N3OS and molecular weight 299.11 g/mol. IUPAC: 2-oxo-5-phenyl-4-sulfanyl-1,5-diazaspiro[5.5]undec-3-ene-3-carbonitrile.
Chemical Property Profile of 4-Oxo-1-phenyl-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitrile
Property Insights of 4-Oxo-1-phenyl-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitrile
The XLogP value of 2.94818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-1-phenyl-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitrile. With a topological polar surface area (TPSA) of 56.13 Ų, 4-Oxo-1-phenyl-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxo-1-phenyl-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitrile has 2 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 4-Oxo-1-phenyl-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitrile?
The CAS number of 4-Oxo-1-phenyl-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitrile is 708998-62-3.
What is the molecular formula of 4-Oxo-1-phenyl-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitrile?
The molecular formula of 4-Oxo-1-phenyl-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitrile is C16H17N3OS.
What is the molecular weight of 4-Oxo-1-phenyl-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitrile?
The molecular weight of 4-Oxo-1-phenyl-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitrile is 299.11 g/mol.
Where can I buy 4-Oxo-1-phenyl-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitrile?
You can request a quote for 4-Oxo-1-phenyl-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-1-phenyl-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-1-phenyl-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.