4-Thiazolecarboxylic acid, 2-(beta-D-glucopyranosylamino)-, ethyl ester, monohydrobromide
TL;DR: 4-Thiazolecarboxylic acid, 2-(beta-D-glucopyranosylamino)-, ethyl ester, monohydrobromide (CAS 79936-35-9) is a chemical compound with molecular formula C12H19BrN2O7S and molecular weight 414.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazole-4-carboxylate;hydrobromide
Also Known As: 4-Thiazolecarboxylic acid, 2-(beta-D-glucopyranosylamino)-, ethyl ester, monohydrobromide, 3-Methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-carbonsaeure, Ethyl 2-(N-beta-D-glucopyranosyl)aminothiazole-4-carboxylate hydrobromide, N-[4-(Ethoxycarbonyl)-1,3-thiazol-2-yl]hexopyranosylamine--hydrogen bromide (1/1), ETHYL 2-[[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]AMINO]-1,3-THIAZOLE-4-CARBOXYLATE HYDROBROMIDE
| Molecular Formula | C12H19BrN2O7S |
|---|---|
| Molecular Weight | 414.01 g/mol |
| LogP | -0.8905 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.00964 |
| Heavy Atoms | 23 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 79936-35-9 |
|---|---|
| SMILES | CCOC(=O)C1=CSC(=N1)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O.Br |
| InChIKey | QQEHCJNENAGMCM-SEAWRNJESA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Thiazolecarboxylic acid, 2-(beta-D-glucopyranosylamino)-, ethyl ester, monohydrobromide (CAS 79936-35-9), with molecular formula C12H19BrN2O7S and molecular weight 414.01 g/mol. IUPAC: ethyl 2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazole-4-carboxylate;hydrobromide.
Chemical Property Profile of 4-Thiazolecarboxylic acid, 2-(beta-D-glucopyranosylamino)-, ethyl ester, monohydrobromide
Property Insights of 4-Thiazolecarboxylic acid, 2-(beta-D-glucopyranosylamino)-, ethyl ester, monohydrobromide
The XLogP value of -0.8905 indicates that 4-Thiazolecarboxylic acid, 2-(beta-D-glucopyranosylamino)-, ethyl ester, monohydrobromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 170.0 Ų indicates high polarity, suggesting 4-Thiazolecarboxylic acid, 2-(beta-D-glucopyranosylamino)-, ethyl ester, monohydrobromide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Thiazolecarboxylic acid, 2-(beta-D-glucopyranosylamino)-, ethyl ester, monohydrobromide has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Thiazolecarboxylic acid, 2-(beta-D-glucopyranosylamino)-, ethyl ester, monohydrobromide?
The CAS number of 4-Thiazolecarboxylic acid, 2-(beta-D-glucopyranosylamino)-, ethyl ester, monohydrobromide is 79936-35-9.
What is the molecular formula of 4-Thiazolecarboxylic acid, 2-(beta-D-glucopyranosylamino)-, ethyl ester, monohydrobromide?
The molecular formula of 4-Thiazolecarboxylic acid, 2-(beta-D-glucopyranosylamino)-, ethyl ester, monohydrobromide is C12H19BrN2O7S.
What is the molecular weight of 4-Thiazolecarboxylic acid, 2-(beta-D-glucopyranosylamino)-, ethyl ester, monohydrobromide?
The molecular weight of 4-Thiazolecarboxylic acid, 2-(beta-D-glucopyranosylamino)-, ethyl ester, monohydrobromide is 414.01 g/mol.
Where can I buy 4-Thiazolecarboxylic acid, 2-(beta-D-glucopyranosylamino)-, ethyl ester, monohydrobromide?
You can request a quote for 4-Thiazolecarboxylic acid, 2-(beta-D-glucopyranosylamino)-, ethyl ester, monohydrobromide 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, 2-(beta-D-glucopyranosylamino)-, ethyl ester, monohydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 4-Thiazolecarboxylic acid, 2-(beta-D-glucopyranosylamino)-, ethyl ester, monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.