CAS RN: 70206-70-1
8alpha-Hydroxy-alpha-gurjunene
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.20251203 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS70206-70-1
- Purity/Analytical Methods: >99.0%
70206-70-1 / (1aR,2S,4R,4aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydrocyclopropa[e]azulen-2-ol
Basic Information
CAS
70206-70-1
Multi CAS
Yes
Molecular Formula
C15H24O
Molecular Weight
220.350000
Exact Mass
220.182715
InChI
InChI=1S/C15H24O/c1-8-5-6-10-9(2)7-11(16)13-14(12(8)10)15(13,3)4/h9-11,13-14,16H,5-7H2,1-4H3/t9-,10-,11+,13-,14+/m1/s1
InChIKey
QKUHHSKUAZHDLP-BLUODKFWSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.87
H-bond acceptors
1
H-bond donors
1
Molar refractivity
65.97
TPSA
20.23
LogP / Solubility
WLOGP
3.39
MLOGP
2.98
XLogP3
2.8
Consensus LogP
3.06
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
Class (SILICOS-IT)
Poorly 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)
-1.66
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
4
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