RefChem:1075637
TL;DR: RefChem:1075637 (CAS 58906-45-9) is a chemical compound with molecular formula C16H19NO3S and molecular weight 305.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-(5-ethyl-3-methyl-4-oxo-5-phenyl-1,3-thiazolidin-2-ylidene)acetate
Also Known As: Acetic acid, (5-ethyl-3-methyl-4-oxo-5-phenyl-2-thiazolidinylidene)-, ethyl ester, Ethyl (5-ethyl-3-methyl-4-oxo-5-phenyl-2-thiazolidinylidene)acetate, 3-Methyl-5-aethyl-5-phenyl-4-oxo-delta(sup 2,alpha)-thiazolidin-essigsaeureaethyl ester, ethyl (2E)-2-(5-ethyl-3-methyl-4-oxo-5-phenyl-1,3-thiazolidin-2-ylidene)acetate, RefChem:1075637
| Molecular Formula | C16H19NO3S |
|---|---|
| Molecular Weight | 305.11 g/mol |
| LogP | 2.9016 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.10855 |
| Heavy Atoms | 21 |
| Complexity | 570.14465 |
Chemical Identifiers
| CAS Number | 58906-45-9 |
|---|---|
| SMILES | CCC1(C(=O)N(/C(=C\C(=O)OCC)/S1)C)C2=CC=CC=C2 |
Product Overview
RefChem:1075637 (CAS 58906-45-9), with molecular formula C16H19NO3S and molecular weight 305.11 g/mol. IUPAC: ethyl (2E)-2-(5-ethyl-3-methyl-4-oxo-5-phenyl-1,3-thiazolidin-2-ylidene)acetate.
Chemical Property Profile of RefChem:1075637
Property Insights of RefChem:1075637
The XLogP value of 2.9016 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1075637. With a topological polar surface area (TPSA) of 46.61 Ų, RefChem:1075637 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1075637 has 0 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 RefChem:1075637?
The CAS number of RefChem:1075637 is 58906-45-9.
What is the molecular formula of RefChem:1075637?
The molecular formula of RefChem:1075637 is C16H19NO3S.
What is the molecular weight of RefChem:1075637?
The molecular weight of RefChem:1075637 is 305.11 g/mol.
Where can I buy RefChem:1075637?
You can request a quote for RefChem:1075637 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075637?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075637 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.