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CAS 1209780-71-1 1-Piperidinecarboxylic acid, 3,3-difluoro-4-hydroxy-, 1,1-diMethylethyl ester molecular structure lightbox
CAS RN: 1209780-71-1

1-Piperidinecarboxylic acid, 3,3-difluoro-4-hydroxy-, 1,1-diMethylethyl ester

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251210 100mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250617 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250213 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250127 25g In stock Shanghai Inquiry
Batchno.20250608 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-022311
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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, 5g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 1209780-71-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Beijing Inquiry
5g >97% 1 In Stock Hong Kong Inquiry
10g >97% 1 In Stock Shanghai Inquiry
25g >97% 1 In Stock Hong Kong Inquiry
100g >97% 0 Out of Stock Hong Kong Inquiry

1209780-71-1 / tert-butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate

tert-Butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate | DTXSID80718893 | RefChem:383266

Standard CAS: 1209780-71-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1209780-71-1
Multi CAS
Yes
Molecular Formula
C10H17F2NO3
Molecular Weight
237.240000
Exact Mass
237.117650
SMILES
CC(C)(C)OC(=O)N1CCC(C(C1)(F)F)O
InChI
InChI=1S/C10H17F2NO3/c1-9(2,3)16-8(15)13-5-4-7(14)10(11,12)6-13/h7,14H,4-6H2,1-3H3
InChIKey
GISYXRBCSOIMTM-UHFFFAOYSA-N
Synonyms
tert-Butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate DTXSID80718893 RefChem:383266 DTXCID80669639 816-906-1

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
53.38
TPSA
49.77

LogP / Solubility

WLOGP
1.62
MLOGP
1.43
XLogP3
1.3
Consensus LogP
1.45
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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)
-3.01

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (25%): 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 (25%): 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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