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CAS 2091351-96-9 tert-butyl (3r)-3-amino-4,4-difluoropiperidine-1-carboxylate molecular structure lightbox
CAS RN: 2091351-96-9

tert-butyl (3r)-3-amino-4,4-difluoropiperidine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250308 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-098709
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2091351-96-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

2091351-96-9 / tert-butyl (3R)-3-amino-4,4-difluoropiperidine-1-carboxylate

Standard CAS: 2091351-96-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2091351-96-9
Multi CAS
No
Molecular Formula
C10H18F2N2O2
Molecular Weight
236.260000
Exact Mass
236.133634
SMILES
CC(C)(C)OC(=O)N1CCC([C@@H](C1)N)(F)F
InChI
InChI=1S/C10H18F2N2O2/c1-9(2,3)16-8(15)14-5-4-10(11,12)7(13)6-14/h7H,4-6,13H2,1-3H3/t7-/m1/s1
InChIKey
QQCPPJQFZYGBHZ-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.35
TPSA
55.56

LogP / Solubility

WLOGP
1.59
MLOGP
1.4
XLogP3
1
Consensus LogP
1.33
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-3.03

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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