IDI1_023744
TL;DR: IDI1_023744 (CAS 516455-33-7) is a chemical compound with molecular formula C21H20N2O3S2 and molecular weight 412.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-(benzenesulfonyl)-2-[3-(4-butylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
Also Known As: IDI1_023744, (2Z)-[3-(4-butylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene](phenylsulfonyl)ethanenitrile, (2Z)-2-(benzenesulfonyl)-2-[3-(4-butylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile, (Z)-2-(3-(4-butylphenyl)-4-oxothiazolidin-2-ylidene)-2-(phenylsulfonyl)acetonitrile, 2-[3-(4-butylphenyl)-4-oxo(1,3-thiazolidin-2-ylidene)]-2-(phenylsulfonyl)ethan enitrile
| Molecular Formula | C21H20N2O3S2 |
|---|---|
| Molecular Weight | 412.09 g/mol |
| LogP | 4.27558 |
| Topological Polar Surface Area | 78.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.09152 |
| Heavy Atoms | 28 |
| Complexity | 1037.3083 |
Chemical Identifiers
| CAS Number | 516455-33-7 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)N\2C(=O)CS/C2=C(/C#N)\S(=O)(=O)C3=CC=CC=C3 |
Product Overview
IDI1_023744 (CAS 516455-33-7), with molecular formula C21H20N2O3S2 and molecular weight 412.09 g/mol. IUPAC: (2Z)-2-(benzenesulfonyl)-2-[3-(4-butylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile.
Chemical Property Profile of IDI1_023744
Property Insights of IDI1_023744
The XLogP value of 4.27558 indicates that IDI1_023744 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.24 Ų falls within the moderate polarity range, balancing permeability and solubility for IDI1_023744. Following Lipinski's Rule of Five, IDI1_023744 has 0 hydrogen bond donor(s) and 5 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 IDI1_023744?
The CAS number of IDI1_023744 is 516455-33-7.
What is the molecular formula of IDI1_023744?
The molecular formula of IDI1_023744 is C21H20N2O3S2.
What is the molecular weight of IDI1_023744?
The molecular weight of IDI1_023744 is 412.09 g/mol.
Where can I buy IDI1_023744?
You can request a quote for IDI1_023744 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_023744?
Yes, KEHONG BIO provides custom synthesis services for IDI1_023744 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.