CAS RN: 84638-55-1
Acetoxyvalerenic Acid
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.20250602 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS84638-55-1
- Purity/Analytical Methods: >99.0%
84638-55-1 / 3-(1-acetyloxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-enoic acid
Basic Information
CAS
84638-55-1
Multi CAS
Yes
Molecular Formula
C17H24O4
Molecular Weight
292.400000
Exact Mass
292.167459
InChI
InChI=1S/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)/b11-7+/t9-,13+,14-,16+/m1/s1
InChIKey
VBBXZFLAYWAXSK-HYJCDKNOSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.65
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
79.64
TPSA
63.6
LogP / Solubility
WLOGP
3.33
MLOGP
2.94
XLogP3
2.7
Consensus LogP
2.99
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly 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)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4.5
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