IDI1_009657
TL;DR: IDI1_009657 (CAS 315243-44-8) is a chemical compound with molecular formula C21H21N3O2S2 and molecular weight 411.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-3-ylbutanamide
Also Known As: IDI1_009657, (Z)-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(pyridin-3-yl)butanamide, F0833-0096, 4-[(5Z)-5-[(4-ETHYLPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]-N-(PYRIDIN-3-YL)BUTANAMIDE, 4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-3-ylbutanamide
| Molecular Formula | C21H21N3O2S2 |
|---|---|
| Molecular Weight | 411.11 g/mol |
| LogP | 4.2641 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.1075 |
| Heavy Atoms | 28 |
| Complexity | 895.6265 |
Chemical Identifiers
| CAS Number | 315243-44-8 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CN=CC=C3 |
Product Overview
IDI1_009657 (CAS 315243-44-8), with molecular formula C21H21N3O2S2 and molecular weight 411.11 g/mol. IUPAC: 4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-3-ylbutanamide.
Chemical Property Profile of IDI1_009657
Property Insights of IDI1_009657
The XLogP value of 4.2641 indicates that IDI1_009657 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for IDI1_009657. Following Lipinski's Rule of Five, IDI1_009657 has 1 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_009657?
The CAS number of IDI1_009657 is 315243-44-8.
What is the molecular formula of IDI1_009657?
The molecular formula of IDI1_009657 is C21H21N3O2S2.
What is the molecular weight of IDI1_009657?
The molecular weight of IDI1_009657 is 411.11 g/mol.
Where can I buy IDI1_009657?
You can request a quote for IDI1_009657 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_009657?
Yes, KEHONG BIO provides custom synthesis services for IDI1_009657 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.