AF-399/42810493
TL;DR: AF-399/42810493 (CAS 708286-79-7) is a chemical compound with molecular formula C17H19N3OS and molecular weight 313.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylphenyl)-2-oxo-4-sulfanyl-1,5-diazaspiro[5.5]undec-3-ene-3-carbonitrile
Also Known As: AF-399/42810493, 1-(4-methylphenyl)-4-oxo-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitrile, 5-(4-methylphenyl)-2-oxo-4-sulfanyl-1,5-diazaspiro[5.5]undec-3-ene-3-carbonitrile, 1-(4-methylphenyl)-4-oxo-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitr ile, 11-(4-methylphenyl)-8-oxo-10-sulfanyl-7,11-diazaspiro[5.5]undec-9-ene-9-carbonitrile
| Molecular Formula | C17H19N3OS |
|---|---|
| Molecular Weight | 313.12 g/mol |
| LogP | 3.2566 |
| Topological Polar Surface Area | 56.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.12488 |
| Heavy Atoms | 22 |
| Complexity | 666.13965 |
Chemical Identifiers
| CAS Number | 708286-79-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=C(C(=O)NC23CCCCC3)C#N)S |
Product Overview
AF-399/42810493 (CAS 708286-79-7), with molecular formula C17H19N3OS and molecular weight 313.12 g/mol. IUPAC: 5-(4-methylphenyl)-2-oxo-4-sulfanyl-1,5-diazaspiro[5.5]undec-3-ene-3-carbonitrile.
Chemical Property Profile of AF-399/42810493
Property Insights of AF-399/42810493
The XLogP value of 3.2566 indicates that AF-399/42810493 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.13 Ų, AF-399/42810493 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/42810493 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 AF-399/42810493?
The CAS number of AF-399/42810493 is 708286-79-7.
What is the molecular formula of AF-399/42810493?
The molecular formula of AF-399/42810493 is C17H19N3OS.
What is the molecular weight of AF-399/42810493?
The molecular weight of AF-399/42810493 is 313.12 g/mol.
Where can I buy AF-399/42810493?
You can request a quote for AF-399/42810493 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42810493?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42810493 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.