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CAS 1523618-37-2 (1-Amino-3,3-difluorocyclobutyl)methanol hydrochloride molecular structure lightbox
CAS RN: 1523618-37-2

(1-Amino-3,3-difluorocyclobutyl)methanol hydrochloride

  • Product code: SSC-062245
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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
  • 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 1523618-37-2
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

1523618-37-2 / (1-amino-3,3-difluorocyclobutyl)methanol;hydrochloride

Standard CAS: 1523618-37-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1523618-37-2
Multi CAS
No
Molecular Formula
C5H10ClF2NO
Molecular Weight
173.590000
Exact Mass
173.041898
SMILES
C1C(CC1(F)F)(CO)N.Cl
InChI
InChI=1S/C5H9F2NO.ClH/c6-5(7)1-4(8,2-5)3-9;/h9H,1-3,8H2;1H
InChIKey
KYXCKULAEUABEP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.43
TPSA
46.25

LogP / Solubility

WLOGP
0.53
MLOGP
0.46
XLogP3
0.53
Consensus LogP
0.51
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
Class (SILICOS-IT)
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)
-3.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
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 (100%): 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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