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CAS 2055043-60-0 (R)-2-(1-(tert-butoxycarbonyl)-3,3-difluoropiperidin-4-yl)acetic acid molecular structure lightbox
CAS RN: 2055043-60-0

(R)-2-(1-(tert-butoxycarbonyl)-3,3-difluoropiperidin-4-yl)acetic acid

  • Product code: SSC-096667
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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: 0.1g, 0.25g, 1g
  • 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 2055043-60-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Beijing Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

2055043-60-0 / 2-[(4R)-3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid

Standard CAS: 2055043-60-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055043-60-0
Multi CAS
No
Molecular Formula
C12H19F2NO4
Molecular Weight
279.280000
Exact Mass
279.128214
SMILES
CC(C)(C)OC(=O)N1CC[C@@H](C(C1)(F)F)CC(=O)O
InChI
InChI=1S/C12H19F2NO4/c1-11(2,3)19-10(18)15-5-4-8(6-9(16)17)12(13,14)7-15/h8H,4-7H2,1-3H3,(H,16,17)/t8-/m1/s1
InChIKey
VACJWZRQZZXARM-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.11
TPSA
66.84

LogP / Solubility

WLOGP
2.35
MLOGP
2.08
XLogP3
1.7
Consensus LogP
2.04
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.55
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)
-2.75

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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