RefChem:299338
TL;DR: RefChem:299338 (CAS 34282-85-4) is a chemical compound with molecular formula C13H18N2O4S3 and molecular weight 362.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[2-(1-ethylpyrrolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
Also Known As: 2-Mercapto-N-(4-methyl-phenyl)-acetamid, 5-[ethylidene]-4-oxo-2-thioxothiazolidin-3-ethanesulphonicacid, 3-Thiazolidineethanesulfonicacid, 5-[2-(1-ethyl-2-pyrrolidinylidene)ethylidene]-4-oxo-2-thioxo-, 5-[2-(1-Ethyl-2-pyrrolidinylidene)ethylidene]-4-oxo-2-thioxo-3-thiazolidineethanesulfonic acid, 2-[(5Z)-5-[(2E)-2-(1-ethylpyrrolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
| Molecular Formula | C13H18N2O4S3 |
|---|---|
| Molecular Weight | 362.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.04288 |
| Heavy Atoms | 22 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 34282-85-4 |
|---|---|
| SMILES | CCN1CCCC1=CC=C2C(=O)N(C(=S)S2)CCS(=O)(=O)O |
| InChIKey | GFJGCPCAQBIUMB-UHFFFAOYSA-N |
Product Overview
RefChem:299338 (CAS 34282-85-4), with molecular formula C13H18N2O4S3 and molecular weight 362.04 g/mol. IUPAC: 2-[5-[2-(1-ethylpyrrolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid.
Chemical Property Profile of RefChem:299338
Property Insights of RefChem:299338
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:299338. The TPSA of 144.0 Ų indicates high polarity, suggesting RefChem:299338 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:299338 has 1 hydrogen bond donor(s) and 7 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:299338?
The CAS number of RefChem:299338 is 34282-85-4.
What is the molecular formula of RefChem:299338?
The molecular formula of RefChem:299338 is C13H18N2O4S3.
What is the molecular weight of RefChem:299338?
The molecular weight of RefChem:299338 is 362.04 g/mol.
Where can I buy RefChem:299338?
You can request a quote for RefChem:299338 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:299338?
Yes, KEHONG BIO provides custom synthesis services for RefChem:299338 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.