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CAS 1630906-35-2 1,1-Difluoro-5-azaspiro[2.5]octane hydrochloride molecular structure lightbox
CAS RN: 1630906-35-2

1,1-Difluoro-5-azaspiro[2.5]octane hydrochloride

  • Product code: SSC-070732
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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
  • Available purity: >98%
  • Inventory rows with stock: 5
  • 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 1630906-35-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 1 In Stock Beijing Inquiry
0.25g >98% 1 In Stock Hong Kong Inquiry
1g >98% 1 In Stock Shenzhen Inquiry
5g >98% 1 In Stock Shanghai Inquiry
10g >98% 1 In Stock Beijing Inquiry

1630906-35-2 / 2,2-difluoro-5-azaspiro[2.5]octane;hydrochloride

Standard CAS: 1630906-35-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1630906-35-2
Multi CAS
No
Molecular Formula
C7H12ClF2N
Molecular Weight
183.630000
Exact Mass
183.062633
SMILES
C1CC2(CC2(F)F)CNC1.Cl
InChI
InChI=1S/C7H11F2N.ClH/c8-7(9)4-6(7)2-1-3-10-5-6;/h10H,1-5H2;1H
InChIKey
DXZOGVBFSOBEOW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.35
TPSA
12.03

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
1.82
Consensus LogP
1.75
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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