CAS RN: 634602-29-2
3-hydroxy-7-methyloctanoic 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.20250130 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS634602-29-2
- Purity/Analytical Methods: >99.0%
634602-29-2 / 3-hydroxy-7-methyloctanoic acid
Basic Information
CAS
634602-29-2
Multi CAS
No
Molecular Formula
C9H18O3
Molecular Weight
174.240000
Exact Mass
174.125594
InChI
InChI=1S/C9H18O3/c1-7(2)4-3-5-8(10)6-9(11)12/h7-8,10H,3-6H2,1-2H3,(H,11,12)
InChIKey
URSDOFWLDXJRKM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.95
TPSA
57.53
LogP / Solubility
WLOGP
1.65
MLOGP
1.45
XLogP3
1.7
Consensus LogP
1.6
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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