![CAS 1445951-57-4 Racemic-(3aR,6S,6aR)-4-(tert-butoxycarbonyl)hexahydro-2H-furo[3,2-b]pyrrole-6-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1445951-57-4.gif)
CAS RN: 1445951-57-4
Racemic-(3aR,6S,6aR)-4-(tert-butoxycarbonyl)hexahydro-2H-furo[3,2-b]pyrrole-6-carboxylic acid
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.20260629 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-055789
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 | Shenzhen | Inquiry |
1445951-57-4 / (3aR,6S,6aR)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxylic acid
Basic Information
CAS
1445951-57-4
Multi CAS
No
Molecular Formula
C12H19NO5
Molecular Weight
257.280000
Exact Mass
257.126323
SMILES
CC(C)(C)OC(=O)N1C[C@@H]([C@@H]2[C@H]1CCO2)C(=O)O
InChI
InChI=1S/C12H19NO5/c1-12(2,3)18-11(16)13-6-7(10(14)15)9-8(13)4-5-17-9/h7-9H,4-6H2,1-3H3,(H,14,15)/t7-,8+,9+/m0/s1
InChIKey
NNZSBVSOHULTJQ-DJLDLDEBSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.21
TPSA
76.07
LogP / Solubility
WLOGP
1.1
MLOGP
0.97
XLogP3
0.5
Consensus LogP
0.86
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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