CAS RN: 69567-10-8
N-METHYL-1-DEOXYNOJIRIMYCIN
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.20250915 | 1mg / 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS69567-10-8
- Purity/Analytical Methods: >99.0%
69567-10-8 / 2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol
Basic Information
CAS
69567-10-8
Multi CAS
Yes
Molecular Formula
C7H15NO4
Molecular Weight
177.200000
Exact Mass
177.100108
InChI
InChI=1S/C7H15NO4/c1-8-2-5(10)7(12)6(11)4(8)3-9/h4-7,9-12H,2-3H2,1H3/t4-,5+,6-,7-/m1/s1
InChIKey
AAKDPDFZMNYDLR-XZBKPIIZSA-N
Physical Properties
Melting Point
141 - 142 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
4
Molar refractivity
41.52
TPSA
84.16
LogP / Solubility
WLOGP
-2.62
MLOGP
-2.31
XLogP3
-1.9
Consensus LogP
-2.28
Log S (ESOL)
0.78
Class (ESOL)
Highly soluble
Log S (Ali)
0.88
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.25
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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