RefChem:1075572
TL;DR: RefChem:1075572 (CAS 58906-59-5) is a chemical compound with molecular formula C18H22N2O3S and molecular weight 346.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-(3-methyl-4-oxo-5-phenyl-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate
Also Known As: Acetic acid, (3-methyl-4-oxo-5-phenyl-5-(1-pyrrolidinyl)-2-thiazolidinylidene)-, ethyl ester, Ethyl (3-methyl-4-oxo-5-phenyl-5-(1-pyrrolidinyl)-2-thiazolidinylidene)acetate, 3-Methyl-5-phenyl-5-N-pyrrolidino-4-oxo-delta(sup 2,alpha)-thiazolidin-essigsaeureaethyl ester, ethyl (2E)-2-(3-methyl-4-oxo-5-phenyl-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate, RefChem:1075572
| Molecular Formula | C18H22N2O3S |
|---|---|
| Molecular Weight | 346.14 g/mol |
| LogP | 2.5449 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.1351 |
| Heavy Atoms | 24 |
| Complexity | 655.48755 |
Chemical Identifiers
| CAS Number | 58906-59-5 |
|---|---|
| SMILES | CCOC(=O)/C=C/1\N(C(=O)C(S1)(C2=CC=CC=C2)N3CCCC3)C |
Product Overview
RefChem:1075572 (CAS 58906-59-5), with molecular formula C18H22N2O3S and molecular weight 346.14 g/mol. IUPAC: ethyl (2E)-2-(3-methyl-4-oxo-5-phenyl-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate.
Chemical Property Profile of RefChem:1075572
Property Insights of RefChem:1075572
The XLogP value of 2.5449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1075572. With a topological polar surface area (TPSA) of 49.85 Ų, RefChem:1075572 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1075572 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 RefChem:1075572?
The CAS number of RefChem:1075572 is 58906-59-5.
What is the molecular formula of RefChem:1075572?
The molecular formula of RefChem:1075572 is C18H22N2O3S.
What is the molecular weight of RefChem:1075572?
The molecular weight of RefChem:1075572 is 346.14 g/mol.
Where can I buy RefChem:1075572?
You can request a quote for RefChem:1075572 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075572?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075572 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.