CAS RN: 74903-53-0
Octanoic acid, 6,8-dihydroxy-
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.20250825 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS74903-53-0
- Purity/Analytical Methods: >99.0%
74903-53-0 / 6,8-dihydroxyoctanoic acid
Basic Information
CAS
74903-53-0
Multi CAS
No
Molecular Formula
C8H16O4
Molecular Weight
176.210000
Exact Mass
176.104859
InChI
InChI=1S/C8H16O4/c9-6-5-7(10)3-1-2-4-8(11)12/h7,9-10H,1-6H2,(H,11,12)
InChIKey
LJWTVHKBGBUURN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
3
Molar refractivity
43.81
TPSA
77.76
LogP / Solubility
WLOGP
0.37
MLOGP
0.33
XLogP3
-0.2
Consensus LogP
0.17
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
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)
-3.53
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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