CAS RN: 1434142-03-6
TRANS-3-AMINO-2,2-DIMETHYLCYCLOBUTANOL HCL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260222 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1434142-03-6
- Purity/Analytical Methods: >99.0%
1434142-03-6 / trans-(1R,3R)-3-amino-2,2-dimethylcyclobutan-1-ol;hydrochloride
Basic Information
CAS
1434142-03-6
Multi CAS
No
Molecular Formula
C6H14ClNO
Molecular Weight
151.630000
Exact Mass
151.076392
SMILES
CC1([C@@H](C[C@H]1O)N)C.Cl
InChI
InChI=1S/C6H13NO.ClH/c1-6(2)4(7)3-5(6)8;/h4-5,8H,3,7H2,1-2H3;1H/t4-,5-;/m1./s1
InChIKey
ITVWYQLMVRTELZ-TYSVMGFPSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.63
TPSA
46.25
LogP / Solubility
WLOGP
0.53
MLOGP
0.46
XLogP3
0.53
Consensus LogP
0.51
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.08
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)
-3.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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