CAS RN: 832117-79-0
(2R,3R,5S,6S)-5,6-Bis(azidomethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260209 | 10mg / 50mg | Confirm by inquiry | Shandong | Inquiry |
- Product code: ICTB3693
- Purity/Analytical Methods: >97.0%(GC)
832117-79-0 / (2R,3R,5S,6S)-5,6-bis(azidomethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
Basic Information
CAS
832117-79-0
Multi CAS
Yes
Molecular Formula
C10H18N6O4
Molecular Weight
286.290000
Exact Mass
286.138953
InChI
InChI=1S/C10H18N6O4/c1-9(17-3)10(2,18-4)20-8(6-14-16-12)7(19-9)5-13-15-11/h7-8H,5-6H2,1-4H3/t7-,8-,9+,10+/m0/s1
InChIKey
VKZQUTPIKFBBMZ-AXTSPUMRSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
68.6
TPSA
134.44
LogP / Solubility
WLOGP
2.12
MLOGP
1.87
XLogP3
2
Consensus LogP
2
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
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