![trimethyl 3-(3-methoxycarbonyl-1,2-oxazol-4-yl)-3,3a,4,5-tetrahydro-2H-[1,2]oxazolo[2,3-b][1,2]oxazole-2,4,5-tricarboxylate structure](/static/products/1005/1005085-05-1.webp)
trimethyl 3-(3-methoxycarbonyl-1,2-oxazol-4-yl)-3,3a,4,5-tetrahydro-2H-[1,2]oxazolo[2,3-b][1,2]oxazole-2,4,5-tricarboxylate
TL;DR: trimethyl 3-(3-methoxycarbonyl-1,2-oxazol-4-yl)-3,3a,4,5-tetrahydro-2H-[1,2]oxazolo[2,3-b][1,2]oxazole-2,4,5-tricarboxylate (CAS 1005085-05-1) is a chemical compound with molecular formula C16H18N2O11 and molecular weight 414.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl 3-(3-methoxycarbonyl-1,2-oxazol-4-yl)-3,3a,4,5-tetrahydro-2H-[1,2]oxazolo[2,3-b][1,2]oxazole-2,4,5-tricarboxylate
Also Known As: trimethyl 3-(3-methoxycarbonyl-1,2-oxazol-4-yl)-3,3a,4,5-tetrahydro-2H-[1,2]oxazolo[2,3-b][1,2]oxazole-2,4,5-tricarboxylate, trimethyl 4-(3-(methoxycarbonyl)isoxazol-4-yl)tetrahydro-2H-isoxazolo[2,3-b]isoxazole-2,3,5-tricarboxylate
| Molecular Formula | C16H18N2O11 |
|---|---|
| Molecular Weight | 414.09 g/mol |
| LogP | -1.0218 |
| Topological Polar Surface Area | 152.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.09106 |
| Heavy Atoms | 29 |
| Complexity | 821.54297 |
Chemical Identifiers
| CAS Number | 1005085-05-1 |
|---|---|
| SMILES | COC(=O)C1C2C(C(ON2OC1C(=O)OC)C(=O)OC)C3=CON=C3C(=O)OC |
Product Overview
trimethyl 3-(3-methoxycarbonyl-1,2-oxazol-4-yl)-3,3a,4,5-tetrahydro-2H-[1,2]oxazolo[2,3-b][1,2]oxazole-2,4,5-tricarboxylate (CAS 1005085-05-1), with molecular formula C16H18N2O11 and molecular weight 414.09 g/mol. IUPAC: trimethyl 3-(3-methoxycarbonyl-1,2-oxazol-4-yl)-3,3a,4,5-tetrahydro-2H-[1,2]oxazolo[2,3-b][1,2]oxazole-2,4,5-tricarboxylate.
Chemical Property Profile of trimethyl 3-(3-methoxycarbonyl-1,2-oxazol-4-yl)-3,3a,4,5-tetrahydro-2H-[1,2]oxazolo[2,3-b][1,2]oxazole-2,4,5-tricarboxylate
Property Insights of trimethyl 3-(3-methoxycarbonyl-1,2-oxazol-4-yl)-3,3a,4,5-tetrahydro-2H-[1,2]oxazolo[2,3-b][1,2]oxazole-2,4,5-tricarboxylate
The XLogP value of -1.0218 indicates that trimethyl 3-(3-methoxycarbonyl-1,2-oxazol-4-yl)-3,3a,4,5-tetrahydro-2H-[1,2]oxazolo[2,3-b][1,2]oxazole-2,4,5-tricarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 152.93 Ų indicates high polarity, suggesting trimethyl 3-(3-methoxycarbonyl-1,2-oxazol-4-yl)-3,3a,4,5-tetrahydro-2H-[1,2]oxazolo[2,3-b][1,2]oxazole-2,4,5-tricarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, trimethyl 3-(3-methoxycarbonyl-1,2-oxazol-4-yl)-3,3a,4,5-tetrahydro-2H-[1,2]oxazolo[2,3-b][1,2]oxazole-2,4,5-tricarboxylate has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of trimethyl 3-(3-methoxycarbonyl-1,2-oxazol-4-yl)-3,3a,4,5-tetrahydro-2H-[1,2]oxazolo[2,3-b][1,2]oxazole-2,4,5-tricarboxylate?
The CAS number of trimethyl 3-(3-methoxycarbonyl-1,2-oxazol-4-yl)-3,3a,4,5-tetrahydro-2H-[1,2]oxazolo[2,3-b][1,2]oxazole-2,4,5-tricarboxylate is 1005085-05-1.
What is the molecular formula of trimethyl 3-(3-methoxycarbonyl-1,2-oxazol-4-yl)-3,3a,4,5-tetrahydro-2H-[1,2]oxazolo[2,3-b][1,2]oxazole-2,4,5-tricarboxylate?
The molecular formula of trimethyl 3-(3-methoxycarbonyl-1,2-oxazol-4-yl)-3,3a,4,5-tetrahydro-2H-[1,2]oxazolo[2,3-b][1,2]oxazole-2,4,5-tricarboxylate is C16H18N2O11.
What is the molecular weight of trimethyl 3-(3-methoxycarbonyl-1,2-oxazol-4-yl)-3,3a,4,5-tetrahydro-2H-[1,2]oxazolo[2,3-b][1,2]oxazole-2,4,5-tricarboxylate?
The molecular weight of trimethyl 3-(3-methoxycarbonyl-1,2-oxazol-4-yl)-3,3a,4,5-tetrahydro-2H-[1,2]oxazolo[2,3-b][1,2]oxazole-2,4,5-tricarboxylate is 414.09 g/mol.
Where can I buy trimethyl 3-(3-methoxycarbonyl-1,2-oxazol-4-yl)-3,3a,4,5-tetrahydro-2H-[1,2]oxazolo[2,3-b][1,2]oxazole-2,4,5-tricarboxylate?
You can request a quote for trimethyl 3-(3-methoxycarbonyl-1,2-oxazol-4-yl)-3,3a,4,5-tetrahydro-2H-[1,2]oxazolo[2,3-b][1,2]oxazole-2,4,5-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trimethyl 3-(3-methoxycarbonyl-1,2-oxazol-4-yl)-3,3a,4,5-tetrahydro-2H-[1,2]oxazolo[2,3-b][1,2]oxazole-2,4,5-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for trimethyl 3-(3-methoxycarbonyl-1,2-oxazol-4-yl)-3,3a,4,5-tetrahydro-2H-[1,2]oxazolo[2,3-b][1,2]oxazole-2,4,5-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.