CAS RN: 25235-82-9
5-Hydroxyundecanoic 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.20251006 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS25235-82-9
- Purity/Analytical Methods: >99.0%
25235-82-9 / 5-hydroxyundecanoic acid
Basic Information
CAS
25235-82-9
Multi CAS
No
Molecular Formula
C11H22O3
Molecular Weight
202.290000
Exact Mass
202.156895
SMILES
CCCCCCC(CCCC(=O)O)O
InChI
InChI=1S/C11H22O3/c1-2-3-4-5-7-10(12)8-6-9-11(13)14/h10,12H,2-9H2,1H3,(H,13,14)
InChIKey
KTPMCFLPGSCUKH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.91
Rotatable bonds
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
56.25
TPSA
57.53
LogP / Solubility
WLOGP
2.57
MLOGP
2.26
XLogP3
2.7
Consensus LogP
2.51
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
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)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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