CAS RN: 51276-34-7
2,6-Dimethyl-3,7-octadiene-2,6-diol
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.20250506 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS51276-34-7
- Purity/Analytical Methods: >99.0%
51276-34-7 / 2,6-dimethylocta-3,7-diene-2,6-diol
Basic Information
CAS
51276-34-7
Multi CAS
Yes
Molecular Formula
C10H18O2
Molecular Weight
170.250000
Exact Mass
170.130680
InChI
InChI=1S/C10H18O2/c1-5-10(4,12)8-6-7-9(2,3)11/h5-7,11-12H,1,8H2,2-4H3/b7-6+
InChIKey
QEOHJVNDENHRCH-VOTSOKGWSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.88
TPSA
40.46
LogP / Solubility
WLOGP
1.64
MLOGP
1.44
XLogP3
1.1
Consensus LogP
1.39
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
Class (SILICOS-IT)
Moderately 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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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- Product Code: starshine_CAS51284-91-4
- Purity/Analytical method: >99.0%
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