CAS RN: 183293-82-5
6-(5-carboxy-5-methyl-hexoxy)-2,2-dimethyl-hexanoic 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.20260319 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS183293-82-5
- Purity/Analytical Methods: >99.0%
183293-82-5 / 6-(5-carboxy-5-methylhexoxy)-2,2-dimethylhexanoic acid
Basic Information
CAS
183293-82-5
Multi CAS
No
Molecular Formula
C16H30O5
Molecular Weight
302.410000
Exact Mass
302.209324
SMILES
CC(C)(CCCCOCCCCC(C)(C)C(=O)O)C(=O)O
InChI
InChI=1S/C16H30O5/c1-15(2,13(17)18)9-5-7-11-21-12-8-6-10-16(3,4)14(19)20/h5-12H2,1-4H3,(H,17,18)(H,19,20)
InChIKey
SDMBRCRVFFHJKR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.88
Rotatable bonds
12
H-bond acceptors
3
H-bond donors
2
Molar refractivity
81.35
TPSA
83.83
LogP / Solubility
WLOGP
3.57
MLOGP
3.15
XLogP3
3.1
Consensus LogP
3.27
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.02
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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