![CAS 1174730-77-8 Tetrahydro-1H-pyrrolo[3,4-c]isoxazole-5(3H)-carboxylic acid phenylmethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1174730-77-8.gif)
CAS RN: 1174730-77-8
Tetrahydro-1H-pyrrolo[3,4-c]isoxazole-5(3H)-carboxylic acid phenylmethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260607 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-017339
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1174730-77-8 / benzyl 1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole-5-carboxylate
BENZYL TETRAHYDRO-1H-PYRROLO[3,4-C]ISOXAZOLE-5(3H)-CARBOXYLATE | 5-Cbz-hexahydropyrrolo[3,4-c]isoxazole | MFCD18074502
Basic Information
CAS
1174730-77-8
Multi CAS
No
Molecular Formula
C13H16N2O3
Molecular Weight
248.280000
Exact Mass
248.116092
SMILES
C1C2CONC2CN1C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C13H16N2O3/c16-13(17-8-10-4-2-1-3-5-10)15-6-11-9-18-14-12(11)7-15/h1-5,11-12,14H,6-9H2
InChIKey
CTIQOBZAVKTZKX-UHFFFAOYSA-N
Synonyms
BENZYL TETRAHYDRO-1H-PYRROLO[3,4-C]ISOXAZOLE-5(3H)-CARBOXYLATE
5-Cbz-hexahydropyrrolo[3,4-c]isoxazole
MFCD18074502
Tetrahydro-1H-pyrrolo[3,4-c]isoxazole-5(3H)-carboxylic acid phenylmethyl ester
benzyl 1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole-5-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.57
TPSA
50.8
LogP / Solubility
WLOGP
1.16
MLOGP
1.03
XLogP3
1.1
Consensus LogP
1.1
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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