[email protected]
CAS 1408075-12-6 3-AMino-1-(trifluoroMethyl)cyclobutan-1-ol hydrochloride molecular structure lightbox
CAS RN: 1408075-12-6

3-AMino-1-(trifluoroMethyl)cyclobutan-1-ol hydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250406 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1408075-12-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1408075-12-6 / 3-amino-1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride

Standard CAS: 1408075-12-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1408075-12-6
Multi CAS
No
Molecular Formula
C5H9ClF3NO
Molecular Weight
191.580000
Exact Mass
191.032476
SMILES
C1C(CC1(C(F)(F)F)O)N.Cl
InChI
InChI=1S/C5H8F3NO.ClH/c6-5(7,8)4(10)1-3(9)2-4;/h3,10H,1-2,9H2;1H
InChIKey
ZXWICPXOEHKXJG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.46
TPSA
46.25

LogP / Solubility

WLOGP
0.82
MLOGP
0.72
XLogP3
0.82
Consensus LogP
0.79
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
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)
-3.3

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] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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 P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us