IDI1_009701
TL;DR: IDI1_009701 (CAS 315243-46-0) is a chemical compound with molecular formula C21H26N2O2S2 and molecular weight 402.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclopentyl-4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
Also Known As: IDI1_009701, (Z)-N-cyclopentyl-4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide, F0833-0098, N-cyclopentyl-4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide, N-cyclopentyl-4-[5-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide
| Molecular Formula | C21H26N2O2S2 |
|---|---|
| Molecular Weight | 402.14 g/mol |
| LogP | 4.2892 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.1436 |
| Heavy Atoms | 27 |
| Complexity | 737.0534 |
Chemical Identifiers
| CAS Number | 315243-46-0 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3CCCC3 |
Product Overview
IDI1_009701 (CAS 315243-46-0), with molecular formula C21H26N2O2S2 and molecular weight 402.14 g/mol. IUPAC: N-cyclopentyl-4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide.
Chemical Property Profile of IDI1_009701
Property Insights of IDI1_009701
The XLogP value of 4.2892 indicates that IDI1_009701 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, IDI1_009701 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IDI1_009701 has 1 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 IDI1_009701?
The CAS number of IDI1_009701 is 315243-46-0.
What is the molecular formula of IDI1_009701?
The molecular formula of IDI1_009701 is C21H26N2O2S2.
What is the molecular weight of IDI1_009701?
The molecular weight of IDI1_009701 is 402.14 g/mol.
Where can I buy IDI1_009701?
You can request a quote for IDI1_009701 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_009701?
Yes, KEHONG BIO provides custom synthesis services for IDI1_009701 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.