RefChem:1083104
TL;DR: RefChem:1083104 (CAS 74007-95-7) is a chemical compound with molecular formula C12H18N2O3S and molecular weight 270.10 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-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate
Also Known As: Acetic acid, 2-(3-methyl-4-oxo-5-pyrrolidin-1-yl-2-thiazolidinylidene)-, ethyl ester, delta(sup 2,alpha)-Thiazolidineacetic acid, 3-methyl-4-oxo-5-pyrrolidin-1-yl-, ethyl ester, 2-(3-Methyl-4-oxo-5-pyrrolidin-1-yl-2-thiazolidinylidene)acetic acid ethyl ester, Acetic acid, [3-methyl-4-oxo-5-(1-pyrrolidinyl)-2-thiazolidinylidene]-, ethyl ester, ethyl (2E)-2-(3-methyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate
| Molecular Formula | C12H18N2O3S |
|---|---|
| Molecular Weight | 270.10 g/mol |
| LogP | 1.018 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.10382 |
| Heavy Atoms | 18 |
| Complexity | 377.5188 |
Chemical Identifiers
| CAS Number | 74007-95-7 |
|---|---|
| SMILES | CCOC(=O)/C=C/1\N(C(=O)C(S1)N2CCCC2)C |
Product Overview
RefChem:1083104 (CAS 74007-95-7), with molecular formula C12H18N2O3S and molecular weight 270.10 g/mol. IUPAC: ethyl (2E)-2-(3-methyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate.
Chemical Property Profile of RefChem:1083104
Property Insights of RefChem:1083104
The XLogP value of 1.018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1083104. With a topological polar surface area (TPSA) of 49.85 Ų, RefChem:1083104 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1083104 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:1083104?
The CAS number of RefChem:1083104 is 74007-95-7.
What is the molecular formula of RefChem:1083104?
The molecular formula of RefChem:1083104 is C12H18N2O3S.
What is the molecular weight of RefChem:1083104?
The molecular weight of RefChem:1083104 is 270.10 g/mol.
Where can I buy RefChem:1083104?
You can request a quote for RefChem:1083104 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1083104?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1083104 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.