CAS RN: 1378388-35-2
“(3S,5S)-1-(tert-butoxycarbonyl)-5-(methoxycarbonyl)pyrrolidine-3-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.20260320 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-047468
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 | Shanghai | Inquiry |
1378388-35-2 / (3S,5S)-5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Basic Information
CAS
1378388-35-2
Multi CAS
No
Molecular Formula
C12H19NO6
Molecular Weight
273.280000
Exact Mass
273.121237
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)OC)C(=O)O
InChI
InChI=1S/C12H19NO6/c1-12(2,3)19-11(17)13-6-7(9(14)15)5-8(13)10(16)18-4/h7-8H,5-6H2,1-4H3,(H,14,15)/t7-,8-/m0/s1
InChIKey
HMHBAEDPNFIUEI-YUMQZZPRSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
64.49
TPSA
93.14
LogP / Solubility
WLOGP
0.87
MLOGP
0.77
XLogP3
0.7
Consensus LogP
0.78
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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