![5-[(4-Chloro-3-nitrophenyl)(hydroxy)methyl]-3-ethyl-1,3-thiazolane-2,4-dione structure](/static/products/6851/685108-62-7.webp)
5-[(4-Chloro-3-nitrophenyl)(hydroxy)methyl]-3-ethyl-1,3-thiazolane-2,4-dione
TL;DR: 5-[(4-Chloro-3-nitrophenyl)(hydroxy)methyl]-3-ethyl-1,3-thiazolane-2,4-dione (CAS 685108-62-7) is a chemical compound with molecular formula C12H11ClN2O5S and molecular weight 330.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chloro-3-nitrophenyl)-hydroxymethyl]-3-ethyl-1,3-thiazolidine-2,4-dione
Also Known As: 5-[(4-chloro-3-nitrophenyl)(hydroxy)methyl]-3-ethyl-1,3-thiazolane-2,4-dione, 5-[(4-chloro-3-nitrophenyl)(hydroxy)methyl]-3-ethyl-1,3-thiazolidine-2,4-dione, 11T-0800, 5-[(4-chloro-3-nitrophenyl)-hydroxymethyl]-3-ethyl-1,3-thiazolidine-2,4-dione, 5-(4-Chloro-3-nitrophenyl)(hydroxy)methyl-3-ethyl-1,3-thiazolane-2,4-dione
| Molecular Formula | C12H11ClN2O5S |
|---|---|
| Molecular Weight | 330.01 g/mol |
| LogP | 2.3655 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.00772 |
| Heavy Atoms | 21 |
| Complexity | 623.6654 |
Chemical Identifiers
| CAS Number | 685108-62-7 |
|---|---|
| SMILES | CCN1C(=O)C(SC1=O)C(C2=CC(=C(C=C2)Cl)[N+](=O)[O-])O |
Product Overview
5-[(4-Chloro-3-nitrophenyl)(hydroxy)methyl]-3-ethyl-1,3-thiazolane-2,4-dione (CAS 685108-62-7), with molecular formula C12H11ClN2O5S and molecular weight 330.01 g/mol. IUPAC: 5-[(4-chloro-3-nitrophenyl)-hydroxymethyl]-3-ethyl-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of 5-[(4-Chloro-3-nitrophenyl)(hydroxy)methyl]-3-ethyl-1,3-thiazolane-2,4-dione
Property Insights of 5-[(4-Chloro-3-nitrophenyl)(hydroxy)methyl]-3-ethyl-1,3-thiazolane-2,4-dione
The XLogP value of 2.3655 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(4-Chloro-3-nitrophenyl)(hydroxy)methyl]-3-ethyl-1,3-thiazolane-2,4-dione. The TPSA of 100.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(4-Chloro-3-nitrophenyl)(hydroxy)methyl]-3-ethyl-1,3-thiazolane-2,4-dione. Following Lipinski's Rule of Five, 5-[(4-Chloro-3-nitrophenyl)(hydroxy)methyl]-3-ethyl-1,3-thiazolane-2,4-dione has 1 hydrogen bond donor(s) and 6 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 5-[(4-Chloro-3-nitrophenyl)(hydroxy)methyl]-3-ethyl-1,3-thiazolane-2,4-dione?
The CAS number of 5-[(4-Chloro-3-nitrophenyl)(hydroxy)methyl]-3-ethyl-1,3-thiazolane-2,4-dione is 685108-62-7.
What is the molecular formula of 5-[(4-Chloro-3-nitrophenyl)(hydroxy)methyl]-3-ethyl-1,3-thiazolane-2,4-dione?
The molecular formula of 5-[(4-Chloro-3-nitrophenyl)(hydroxy)methyl]-3-ethyl-1,3-thiazolane-2,4-dione is C12H11ClN2O5S.
What is the molecular weight of 5-[(4-Chloro-3-nitrophenyl)(hydroxy)methyl]-3-ethyl-1,3-thiazolane-2,4-dione?
The molecular weight of 5-[(4-Chloro-3-nitrophenyl)(hydroxy)methyl]-3-ethyl-1,3-thiazolane-2,4-dione is 330.01 g/mol.
Where can I buy 5-[(4-Chloro-3-nitrophenyl)(hydroxy)methyl]-3-ethyl-1,3-thiazolane-2,4-dione?
You can request a quote for 5-[(4-Chloro-3-nitrophenyl)(hydroxy)methyl]-3-ethyl-1,3-thiazolane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(4-Chloro-3-nitrophenyl)(hydroxy)methyl]-3-ethyl-1,3-thiazolane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-Chloro-3-nitrophenyl)(hydroxy)methyl]-3-ethyl-1,3-thiazolane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.