4-Thiazolecarboxylic acid, 4,5-dihydro-5,5-dimethyl-, methyl ester
TL;DR: 4-Thiazolecarboxylic acid, 4,5-dihydro-5,5-dimethyl-, methyl ester (CAS 58134-39-7) is a chemical compound with molecular formula C7H11NO2S and molecular weight 173.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5,5-dimethyl-4H-1,3-thiazole-4-carboxylate
Also Known As: methyl 5,5-dimethyl-4H-1,3-thiazole-4-carboxylate, 4-Thiazolecarboxylic acid, 4,5-dihydro-5,5-dimethyl-, methyl ester, 4-carbomethoxy-5,5-dimethyl-delta 2-thiazoline, methyl 5,5-dimethyl-2-thiazoline-4-carboxylate, Methyl 5,5-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxylate
| Molecular Formula | C7H11NO2S |
|---|---|
| Molecular Weight | 173.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.05106 |
| Heavy Atoms | 11 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 58134-39-7 |
|---|---|
| SMILES | CC1(C(N=CS1)C(=O)OC)C |
| InChIKey | VWQLRNGOMMVLHQ-UHFFFAOYSA-N |
Product Overview
4-Thiazolecarboxylic acid, 4,5-dihydro-5,5-dimethyl-, methyl ester (CAS 58134-39-7), with molecular formula C7H11NO2S and molecular weight 173.05 g/mol. IUPAC: methyl 5,5-dimethyl-4H-1,3-thiazole-4-carboxylate.
Chemical Property Profile of 4-Thiazolecarboxylic acid, 4,5-dihydro-5,5-dimethyl-, methyl ester
Property Insights of 4-Thiazolecarboxylic acid, 4,5-dihydro-5,5-dimethyl-, methyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Thiazolecarboxylic acid, 4,5-dihydro-5,5-dimethyl-, methyl ester. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Thiazolecarboxylic acid, 4,5-dihydro-5,5-dimethyl-, methyl ester. Following Lipinski's Rule of Five, 4-Thiazolecarboxylic acid, 4,5-dihydro-5,5-dimethyl-, methyl ester has 0 hydrogen bond donor(s) and 4 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-Thiazolecarboxylic acid, 4,5-dihydro-5,5-dimethyl-, methyl ester?
The CAS number of 4-Thiazolecarboxylic acid, 4,5-dihydro-5,5-dimethyl-, methyl ester is 58134-39-7.
What is the molecular formula of 4-Thiazolecarboxylic acid, 4,5-dihydro-5,5-dimethyl-, methyl ester?
The molecular formula of 4-Thiazolecarboxylic acid, 4,5-dihydro-5,5-dimethyl-, methyl ester is C7H11NO2S.
What is the molecular weight of 4-Thiazolecarboxylic acid, 4,5-dihydro-5,5-dimethyl-, methyl ester?
The molecular weight of 4-Thiazolecarboxylic acid, 4,5-dihydro-5,5-dimethyl-, methyl ester is 173.05 g/mol.
Where can I buy 4-Thiazolecarboxylic acid, 4,5-dihydro-5,5-dimethyl-, methyl ester?
You can request a quote for 4-Thiazolecarboxylic acid, 4,5-dihydro-5,5-dimethyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Thiazolecarboxylic acid, 4,5-dihydro-5,5-dimethyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Thiazolecarboxylic acid, 4,5-dihydro-5,5-dimethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.