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CAS 1363384-66-0 tert-butyl N-{[(2S)-4,4-difluoropyrrolidin-2-yl]methyl}carbamate molecular structure lightbox
CAS RN: 1363384-66-0

tert-butyl N-{[(2S)-4,4-difluoropyrrolidin-2-yl]methyl}carbamate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260310 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-045413
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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: ＞97%
  • 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 1363384-66-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry

1363384-66-0 / tert-butyl N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]carbamate

Standard CAS: 1363384-66-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1363384-66-0
Multi CAS
No
Molecular Formula
C10H18F2N2O2
Molecular Weight
236.260000
Exact Mass
236.133634
SMILES
CC(C)(C)OC(=O)NC[C@@H]1CC(CN1)(F)F
InChI
InChI=1S/C10H18F2N2O2/c1-9(2,3)16-8(15)13-5-7-4-10(11,12)6-14-7/h7,14H,4-6H2,1-3H3,(H,13,15)/t7-/m0/s1
InChIKey
KEWAAHJOSNDLHV-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.59
TPSA
50.36

LogP / Solubility

WLOGP
1.51
MLOGP
1.33
XLogP3
1.4
Consensus LogP
1.41
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-3.09

Drug-likeness / Medicinal Chemistry

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

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