Research chemical
CAS Number: 1005035-57-3
![4-Ethoxycarbonylmethyl-tetrahydro-isoxazolo[2,3-b]isoxazole-2,3,5-tricarboxylic acid 3,5-diethyl ester 2-methyl ester molecular structure, CAS 1005035-57-3](/structure-images/1005035-57-3.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
3763188
Exact Mass
403.147846
InChIKey
OLKOIFSINSXHTP-UHFFFAOYSA-N
IUPAC Name
2-O,4-O-diethyl 5-O-methyl 3-(2-ethoxy-2-oxoethyl)-3,3a,4,5-tetrahydro-2H-[1,2]oxazolo[2,3-b][1,2]oxazole-2,4,5-tricarboxylate
SMILES String
CCOC(=O)CC1C(C(=O)OCC)ON2OC(C(=O)OC)C(C(=O)OCC)C12
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
4-Ethoxycarbonylmethyl-tetrahydro-isoxazolo[2,3-b]isoxazole-2,3,5-tricarboxylic acid 3,5-diethyl ester 2-methyl ester is identified by CAS 1005035-57-3, with molecular formula C17H25NO10, molecular weight 403.4, InChIKey OLKOIFSINSXHTP-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
XLogP
0.9
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
28
H-bond acceptors
11
H-bond donors
0
Rotatable bonds
8
Ring count
2
Aromatic rings
0
Topological polar surface area
126.9 Ų
Computed LogP
-0.23
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
4-Ethoxycarbonylmethyl-tetrahydro-isoxazolo[2,3-b]isoxazole-2,3,5-tricarboxylic acid 3,5-diethyl ester 2-methyl ester (CAS 1005035-57-3) is an English MolGraph catalog reference, molecular formula C17H25NO10 and molecular weight 403. 40 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page to review identity data, application tags, sourcing readiness, and RFQ context for heterocyclic building-block research, bioactivity screening workflows, research chemical sourcing.
Documentation needs
Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.