CAS RN: 7179-99-9
(TETRAHYDRO-2H-PYRAN-3-YL)METHANAMINE HYDROCHLORIDE
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.20260410 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS7179-99-9
- Purity/Analytical Methods: >99.0%
7179-99-9 / oxan-3-ylmethanamine
Basic Information
CAS
7179-99-9
Multi CAS
Yes
Molecular Formula
C6H13NO
Molecular Weight
115.170000
Exact Mass
115.099714
InChI
InChI=1S/C6H13NO/c7-4-6-2-1-3-8-5-6/h6H,1-5,7H2
InChIKey
ZTCHEOLGUZDPAN-UHFFFAOYSA-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
32.6
TPSA
35.25
LogP / Solubility
WLOGP
0.37
MLOGP
0.32
XLogP3
-0.1
Consensus LogP
0.2
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.84
Class (SILICOS-IT)
Very 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)
-3.16
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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