IFLab1_006297
TL;DR: IFLab1_006297 (CAS 865612-05-1) is a chemical compound with molecular formula C15H14N2OS3 and molecular weight 334.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,3-bis(methylsulfanyl)prop-2-enenitrile
Also Known As: IFLab1_006297, 2-(4-(4-methoxyphenyl)thiazol-2-yl)-3,3-bis(methylthio)acrylonitrile, 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,3-bis(methylsulfanyl)prop-2-enenitrile, AS-871/43476276, F1488-0001
| Molecular Formula | C15H14N2OS3 |
|---|---|
| Molecular Weight | 334.03 g/mol |
| LogP | 4.73688 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.02682 |
| Heavy Atoms | 21 |
| Complexity | 677.68945 |
Chemical Identifiers
| CAS Number | 865612-05-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CSC(=N2)C(=C(SC)SC)C#N |
Product Overview
IFLab1_006297 (CAS 865612-05-1), with molecular formula C15H14N2OS3 and molecular weight 334.03 g/mol. IUPAC: 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,3-bis(methylsulfanyl)prop-2-enenitrile.
Chemical Property Profile of IFLab1_006297
Property Insights of IFLab1_006297
The XLogP value of 4.73688 indicates that IFLab1_006297 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.91 Ų, IFLab1_006297 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_006297 has 0 hydrogen bond donor(s) and 6 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 IFLab1_006297?
The CAS number of IFLab1_006297 is 865612-05-1.
What is the molecular formula of IFLab1_006297?
The molecular formula of IFLab1_006297 is C15H14N2OS3.
What is the molecular weight of IFLab1_006297?
The molecular weight of IFLab1_006297 is 334.03 g/mol.
Where can I buy IFLab1_006297?
You can request a quote for IFLab1_006297 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_006297?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_006297 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.