CAS RN: 793658-98-7
METHYL 4-AMINOMETHYL-TETRAHYDRO-PYRAN-4-CARBOXYLATE
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.20251221 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS793658-98-7
- Purity/Analytical Methods: >99.0%
793658-98-7 / methyl 4-(aminomethyl)oxane-4-carboxylate
Basic Information
CAS
793658-98-7
Multi CAS
Yes
Molecular Formula
C8H15NO3
Molecular Weight
173.210000
Exact Mass
173.105193
InChI
InChI=1S/C8H15NO3/c1-11-7(10)8(6-9)2-4-12-5-3-8/h2-6,9H2,1H3
InChIKey
VJTUCQHBOFWNQT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.56
TPSA
61.55
LogP / Solubility
WLOGP
-0.09
MLOGP
-0.08
XLogP3
-0.7
Consensus LogP
-0.29
Log S (ESOL)
-0.73
Class (ESOL)
Very soluble
Log S (Ali)
-0.92
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.96
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)
-3.84
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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