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CAS 1408002-85-6 (2R)-1-Boc-4,4-difluoro-2-Methylpyrrolidine-2-carboxylic acid molecular structure lightbox
CAS RN: 1408002-85-6

(2R)-1-Boc-4,4-difluoro-2-Methylpyrrolidine-2-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260322 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-051288
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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: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1408002-85-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1408002-85-6 / (2R)-4,4-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

Standard CAS: 1408002-85-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1408002-85-6
Multi CAS
No
Molecular Formula
C11H17F2NO4
Molecular Weight
265.250000
Exact Mass
265.112564
SMILES
C[C@@]1(CC(CN1C(=O)OC(C)(C)C)(F)F)C(=O)O
InChI
InChI=1S/C11H17F2NO4/c1-9(2,3)18-8(17)14-6-11(12,13)5-10(14,4)7(15)16/h5-6H2,1-4H3,(H,15,16)/t10-/m1/s1
InChIKey
JWWNJDSEXLKVLH-SNVBAGLBSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.54
TPSA
66.84

LogP / Solubility

WLOGP
2.11
MLOGP
1.86
XLogP3
1.7
Consensus LogP
1.89
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
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)
-2.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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