4,5-Thiazoledicarboxylic acid, 2-carbamoyl-, dimethyl ester
TL;DR: 4,5-Thiazoledicarboxylic acid, 2-carbamoyl-, dimethyl ester (CAS 22061-97-8) is a chemical compound with molecular formula C8H8N2O5S and molecular weight 244.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-carbamoyl-1,3-thiazole-4,5-dicarboxylate
Also Known As: dimethyl 2-carbamoylthiazole-4,5-dicarboxylate, 2-Carbamoylthiazole-4,5-dicarboxylicaciddimethylester, dimethyl 2-carbamoyl-1,3-thiazole-4,5-dicarboxylate, 2-Carbamoylthiazole-4,5-dicarboxylic acid dimethyl ester, 4,5-dimethyl 2-carbamoyl-1,3-thiazole-4,5-dicarboxylate
| Molecular Formula | C8H8N2O5S |
|---|---|
| Molecular Weight | 244.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 244.0154 |
| Heavy Atoms | 16 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 22061-97-8 |
|---|---|
| SMILES | COC(=O)C1=C(SC(=N1)C(=O)N)C(=O)OC |
| InChIKey | DIFLVEGFRMAIJS-UHFFFAOYSA-N |
Product Overview
4,5-Thiazoledicarboxylic acid, 2-carbamoyl-, dimethyl ester (CAS 22061-97-8), with molecular formula C8H8N2O5S and molecular weight 244.02 g/mol. IUPAC: dimethyl 2-carbamoyl-1,3-thiazole-4,5-dicarboxylate.
Chemical Property Profile of 4,5-Thiazoledicarboxylic acid, 2-carbamoyl-, dimethyl ester
Property Insights of 4,5-Thiazoledicarboxylic acid, 2-carbamoyl-, dimethyl ester
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Thiazoledicarboxylic acid, 2-carbamoyl-, dimethyl ester. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Thiazoledicarboxylic acid, 2-carbamoyl-, dimethyl ester. Following Lipinski's Rule of Five, 4,5-Thiazoledicarboxylic acid, 2-carbamoyl-, dimethyl ester 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 4,5-Thiazoledicarboxylic acid, 2-carbamoyl-, dimethyl ester?
The CAS number of 4,5-Thiazoledicarboxylic acid, 2-carbamoyl-, dimethyl ester is 22061-97-8.
What is the molecular formula of 4,5-Thiazoledicarboxylic acid, 2-carbamoyl-, dimethyl ester?
The molecular formula of 4,5-Thiazoledicarboxylic acid, 2-carbamoyl-, dimethyl ester is C8H8N2O5S.
What is the molecular weight of 4,5-Thiazoledicarboxylic acid, 2-carbamoyl-, dimethyl ester?
The molecular weight of 4,5-Thiazoledicarboxylic acid, 2-carbamoyl-, dimethyl ester is 244.02 g/mol.
Where can I buy 4,5-Thiazoledicarboxylic acid, 2-carbamoyl-, dimethyl ester?
You can request a quote for 4,5-Thiazoledicarboxylic acid, 2-carbamoyl-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Thiazoledicarboxylic acid, 2-carbamoyl-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Thiazoledicarboxylic acid, 2-carbamoyl-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.