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CAS 1067914-83-3 1-(tert-Butoxycarbonyl)-3,3-difluoro-4,4-dihydroxypiperidine molecular structure lightbox
CAS RN: 1067914-83-3

1-(tert-Butoxycarbonyl)-3,3-difluoro-4,4-dihydroxypiperidine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260424 1g / 5g Out of stock 15 business days Inquiry
  • Product code: SSC-008306
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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: 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 1067914-83-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 1 In Stock Shanghai Inquiry
5g >97% 1 In Stock Shenzhen Inquiry

1067914-83-3 / tert-butyl 3,3-difluoro-4,4-dihydroxypiperidine-1-carboxylate

1-(tert-Butoxycarbonyl)-3,3-difluoro-4,4-dihydroxypiperidine | RefChem:428691 | 841-745-9

Standard CAS: 1067914-83-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1067914-83-3
Multi CAS
No
Molecular Formula
C10H17F2NO4
Molecular Weight
253.240000
Exact Mass
253.112564
SMILES
CC(C)(C)OC(=O)N1CCC(C(C1)(F)F)(O)O
InChI
InChI=1S/C10H17F2NO4/c1-8(2,3)17-7(14)13-5-4-10(15,16)9(11,12)6-13/h15-16H,4-6H2,1-3H3
InChIKey
WQBMVRTXKYXMKT-UHFFFAOYSA-N
Synonyms
1-(tert-Butoxycarbonyl)-3,3-difluoro-4,4-dihydroxypiperidine RefChem:428691 841-745-9 tert-Butyl 3,3-difluoro-4,4-dihydroxypiperidine-1-carboxylate 1-BOC-3, 3-DIFLUORO-4,4-(DIHYDROXY)PIPERIDINE

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
54.54
TPSA
70

LogP / Solubility

WLOGP
0.94
MLOGP
0.84
XLogP3
0.5
Consensus LogP
0.76
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
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)
-3.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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