1,2,3-Thiadiazole-5-carboxaldoxime glucuronide
TL;DR: 1,2,3-Thiadiazole-5-carboxaldoxime glucuronide (CAS 80238-98-8) is a chemical compound with molecular formula C9H11N3O7S and molecular weight 305.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[(E)-thiadiazol-5-ylmethylideneamino]oxyoxane-2-carboxylic acid
Also Known As: 1,2,3-Tdag, 1,2,3-Thiadiazole-5-carboxaldoxime glucuronide, 1,2,3-thiadiazole-5-carboxaldoximeglucuronide, (2S,3S,4S,5R)-3,4,5-Trihydroxy-6-[(E)-thiadiazol-5-ylmethylideneamino]oxyoxane-2-carboxylic acid, beta-D-Glucopyranuronic acid, 1-deoxy-1-(((1,2,3-thiadiazol-5-ylmethylene)amino)oxy)-
| Molecular Formula | C9H11N3O7S |
|---|---|
| Molecular Weight | 305.03 g/mol |
| LogP | -2.2192 |
| Topological Polar Surface Area | 154.59 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.03177 |
| Heavy Atoms | 20 |
| Complexity | 481.89554 |
Chemical Identifiers
| CAS Number | 80238-98-8 |
|---|---|
| SMILES | C1=C(SN=N1)/C=N/OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
Product Overview
1,2,3-Thiadiazole-5-carboxaldoxime glucuronide (CAS 80238-98-8), with molecular formula C9H11N3O7S and molecular weight 305.03 g/mol. IUPAC: (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[(E)-thiadiazol-5-ylmethylideneamino]oxyoxane-2-carboxylic acid.
Chemical Property Profile of 1,2,3-Thiadiazole-5-carboxaldoxime glucuronide
Property Insights of 1,2,3-Thiadiazole-5-carboxaldoxime glucuronide
The XLogP value of -2.2192 indicates that 1,2,3-Thiadiazole-5-carboxaldoxime glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 154.59 Ų indicates high polarity, suggesting 1,2,3-Thiadiazole-5-carboxaldoxime glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2,3-Thiadiazole-5-carboxaldoxime glucuronide has 4 hydrogen bond donor(s) and 10 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 1,2,3-Thiadiazole-5-carboxaldoxime glucuronide?
The CAS number of 1,2,3-Thiadiazole-5-carboxaldoxime glucuronide is 80238-98-8.
What is the molecular formula of 1,2,3-Thiadiazole-5-carboxaldoxime glucuronide?
The molecular formula of 1,2,3-Thiadiazole-5-carboxaldoxime glucuronide is C9H11N3O7S.
What is the molecular weight of 1,2,3-Thiadiazole-5-carboxaldoxime glucuronide?
The molecular weight of 1,2,3-Thiadiazole-5-carboxaldoxime glucuronide is 305.03 g/mol.
Where can I buy 1,2,3-Thiadiazole-5-carboxaldoxime glucuronide?
You can request a quote for 1,2,3-Thiadiazole-5-carboxaldoxime glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Thiadiazole-5-carboxaldoxime glucuronide?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Thiadiazole-5-carboxaldoxime glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.