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CAS 1174020-42-8 tert-butyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate molecular structure lightbox
CAS RN: 1174020-42-8

tert-butyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250206 100mg / 250mg / 1g / 5g / 10g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batchno.20250205 10g In stock Shanghai Inquiry
Batchno.20251014 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250701 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251009 25g In stock Shanghai Inquiry
Batchno.20251117 5g In stock Shanghai Inquiry
  • Product code: SSC-017254
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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, 1g, 5g, 10g
  • 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 1174020-42-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry

1174020-42-8 / tert-butyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate

(3S,4R)-1-Boc-3-fluoro-4-hydroxypiperidine | rac-tert-butyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate | RefChem:401510

Standard CAS: 1174020-42-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1174020-42-8
Multi CAS
Yes
Molecular Formula
C10H18FNO3
Molecular Weight
219.250000
Exact Mass
219.127072
SMILES
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](C1)F)O
InChI
InChI=1S/C10H18FNO3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7-8,13H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKey
XRNLYXKYODGLMI-SFYZADRCSA-N
Synonyms
(3S,4R)-1-Boc-3-fluoro-4-hydroxypiperidine rac-tert-butyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate RefChem:401510 813-462-0 846-818-9

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.33
TPSA
49.77

LogP / Solubility

WLOGP
1.33
MLOGP
1.17
XLogP3
1
Consensus LogP
1.17
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-3.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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