Probes1_000481
TL;DR: Probes1_000481 (CAS 1261158-85-3) is a chemical compound with molecular formula C15H13Cl2NO3S2 and molecular weight 388.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid
Also Known As: Probes1_000481, Probes2_000421, BAS 00472999, (Z)-2-(5-(2,4-dichlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid, AB00079110-01
| Molecular Formula | C15H13Cl2NO3S2 |
|---|---|
| Molecular Weight | 388.97 g/mol |
| LogP | 4.3038 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.9714 |
| Heavy Atoms | 23 |
| Complexity | 718.6736 |
Chemical Identifiers
| CAS Number | 1261158-85-3 |
|---|---|
| SMILES | CC(C)C(C(=O)O)N1C(=O)/C(=C/C2=C(C=C(C=C2)Cl)Cl)/SC1=S |
Product Overview
Probes1_000481 (CAS 1261158-85-3), with molecular formula C15H13Cl2NO3S2 and molecular weight 388.97 g/mol. IUPAC: 2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid.
Chemical Property Profile of Probes1_000481
Property Insights of Probes1_000481
The XLogP value of 4.3038 indicates that Probes1_000481 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, Probes1_000481 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Probes1_000481 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 Probes1_000481?
The CAS number of Probes1_000481 is 1261158-85-3.
What is the molecular formula of Probes1_000481?
The molecular formula of Probes1_000481 is C15H13Cl2NO3S2.
What is the molecular weight of Probes1_000481?
The molecular weight of Probes1_000481 is 388.97 g/mol.
Where can I buy Probes1_000481?
You can request a quote for Probes1_000481 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Probes1_000481?
Yes, KEHONG BIO provides custom synthesis services for Probes1_000481 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.