![CAS 7175-80-6 [(2R)-oxolan-2-yl]methanamine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/7175-80-6.gif)
CAS RN: 7175-80-6
[(2R)-oxolan-2-yl]methanamine hydrochloride
Product Availability
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4 package records2 with current stock1 grade group
- Product code: starshine_CAS7175-80-6
- Purity/Analytical Methods: >99.0%
7175-80-6 / oxolan-2-ylmethanamine;hydrochloride
Basic Information
CAS
7175-80-6
Multi CAS
Yes
Molecular Formula
C5H12CLNO
Molecular Weight
137.610000
Exact Mass
137.060742
InChI
InChI=1S/C5H11NO.ClH/c6-4-5-2-1-3-7-5;/h5H,1-4,6H2;1H/t5-;/m1./s1
InChIKey
TUXSUKLRDNJDOR-NUBCRITNSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.28
TPSA
35.25
LogP / Solubility
WLOGP
0.55
MLOGP
0.47
XLogP3
0.55
Consensus LogP
0.52
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.13
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)
-3.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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