Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
25
H-bond acceptors
7
H-bond donors
1
Rotatable bonds
5
Ring count
2
Aromatic rings
0
Topological polar surface area
86.22 Ų
Computed LogP
2.88
Catalog Facts
Structural features
40 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research-stage medicinal chemistry and intermediate synthesis workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
SDS signal word: Warning; hazard codes: H302; For research use only.
Applications & Classification
Pharmaceutical Intermediate ResearchResearch intermediateCustom synthesis building blockPharmaceutical intermediate researchResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Safety & Handling
Handling & Storage
Keep container tightly closed and dry.
Store in a well-ventilated place.
First Aid
Do not give anything to an unconscious person.
Rinse mouth with water.
Show additional safety reference fields
Fire Fighting
If necessary, wear a self-contained breathing apparatus for firefighting.
Accidental Release
Do not generate dust when collecting and disposing.
Sweep and shovel up.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Catalog navigation
Related Catalog Entries
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
MolGraph uses public price and availability evidence as a starting point, then confirms current stock, quotation, COA/SDS, lot specification, lead time, and shipment documentation before final acceptance.
Package and specification
Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Final lot confirmation
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supply documentation
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Quotation review
Final quote depends on quantity, lead time, destination, and supplier confirmation.
Procurement questions
Is CAS 229613-93-8 in stock?
(3aR,4R,6S,6aS)-Methyl 4-((tert-butoxycarbonyl)amino)-3-(pentan-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-6-carboxylate is listed as in-stock / available for research-use sourcing review. Final availability, lot specification, and lead time are confirmed by RFQ.
How is the final price confirmed?
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Can MolGraph provide COA or SDS for CAS 229613-93-8?
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
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.
![(3aR,4R,6S,6aS)-Methyl 4-((tert-butoxycarbonyl)amino)-3-(pentan-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-6-carboxylate molecular structure, CAS 229613-93-8](/structure-images/229613-93-8.png?v=struct-v2)