CAS RN: 948015-51-8
4-Aminomethyltetrahydropyran-4-carboxylic acid
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.20251201 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS948015-51-8
- Purity/Analytical Methods: >99.0%
948015-51-8 / 4-(aminomethyl)oxane-4-carboxylic acid
Basic Information
CAS
948015-51-8
Multi CAS
No
Molecular Formula
C7H13NO3
Molecular Weight
159.180000
Exact Mass
159.089543
InChI
InChI=1S/C7H13NO3/c8-5-7(6(9)10)1-3-11-4-2-7/h1-5,8H2,(H,9,10)
InChIKey
MOQXTRBNZFLFOF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
39.18
TPSA
72.55
LogP / Solubility
WLOGP
-0.17
MLOGP
-0.16
XLogP3
-3.3
Consensus LogP
-1.21
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.79
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)
-3.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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