CAS RN: 78617-12-6
HEPTYL-BETA-D-GLUCOPYRANOSIDE
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.20250206 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS78617-12-6
- Purity/Analytical Methods: >99.0%
78617-12-6 / 2-heptoxy-6-(hydroxymethyl)oxane-3,4,5-triol
Basic Information
CAS
78617-12-6
Multi CAS
Yes
Molecular Formula
C13H26O6
Molecular Weight
278.340000
Exact Mass
278.172939
InChI
InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3
InChIKey
NIDYWHLDTIVRJT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
4
Molar refractivity
68.48
TPSA
99.38
LogP / Solubility
WLOGP
-0.23
MLOGP
-0.19
XLogP3
0.8
Consensus LogP
0.13
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-4.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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