CAS RN: 1378389-61-7
(2S,4S)-1-(tert-butoxycarbonyl)-4-((difluoroMethoxy)Methyl)pyrrolidine-2-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.20251030 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-047469
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 |
1378389-61-7 / (2S,4S)-4-(difluoromethoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Basic Information
CAS
1378389-61-7
Multi CAS
No
Molecular Formula
C12H19F2NO5
Molecular Weight
295.280000
Exact Mass
295.123129
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)O)COC(F)F
InChI
InChI=1S/C12H19F2NO5/c1-12(2,3)20-11(18)15-5-7(6-19-10(13)14)4-8(15)9(16)17/h7-8,10H,4-6H2,1-3H3,(H,16,17)/t7-,8-/m0/s1
InChIKey
MVSMHEQSPFMSKF-YUMQZZPRSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.43
TPSA
76.07
LogP / Solubility
WLOGP
1.94
MLOGP
1.71
XLogP3
1.9
Consensus LogP
1.85
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
Class (SILICOS-IT)
Poorly 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)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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