IFLab1_003998
TL;DR: IFLab1_003998 (CAS 385381-59-9) is a chemical compound with molecular formula C22H24N4S2 and molecular weight 408.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanyl-3-azaspiro[5.5]undeca-2,4-diene-5-carbonitrile
Also Known As: IFLab1_003998, 4-imino-5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(methylsulfanyl)-3-azaspiro[5.5]undec-1-ene-1-carbonitrile, AB00672879-01, F0894-0268, A2568/0109469
| Molecular Formula | C22H24N4S2 |
|---|---|
| Molecular Weight | 408.14 g/mol |
| LogP | 5.6216 |
| Topological Polar Surface Area | 75.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.14423 |
| Heavy Atoms | 28 |
| Complexity | 972.7108 |
Chemical Identifiers
| CAS Number | 385381-59-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC(=N2)C3C(=NC(=C(C34CCCCC4)C#N)SC)N |
Product Overview
IFLab1_003998 (CAS 385381-59-9), with molecular formula C22H24N4S2 and molecular weight 408.14 g/mol. IUPAC: 2-amino-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanyl-3-azaspiro[5.5]undeca-2,4-diene-5-carbonitrile.
Chemical Property Profile of IFLab1_003998
Property Insights of IFLab1_003998
The XLogP value of 5.6216 indicates that IFLab1_003998 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.06 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_003998. Following Lipinski's Rule of Five, IFLab1_003998 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of IFLab1_003998?
The CAS number of IFLab1_003998 is 385381-59-9.
What is the molecular formula of IFLab1_003998?
The molecular formula of IFLab1_003998 is C22H24N4S2.
What is the molecular weight of IFLab1_003998?
The molecular weight of IFLab1_003998 is 408.14 g/mol.
Where can I buy IFLab1_003998?
You can request a quote for IFLab1_003998 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003998?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.