CAS RN: 2408131-70-2
Bempedoic Acid-d4
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250412 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS2408131-70-2
- Purity/Analytical Methods: >99.0%
2408131-70-2 / 7,7,9,9-tetradeuterio-8-hydroxy-2,2,14,14-tetramethylpentadecanedioic acid
Basic Information
CAS
2408131-70-2
Multi CAS
No
Molecular Formula
C19H36O5
Molecular Weight
348.500000
Exact Mass
348.281381
SMILES
[2H]C([2H])(CCCCC(C)(C)C(=O)O)C(C([2H])([2H])CCCCC(C)(C)C(=O)O)O
InChI
InChI=1S/C19H36O5/c1-18(2,16(21)22)13-9-5-7-11-15(20)12-8-6-10-14-19(3,4)17(23)24/h15,20H,5-14H2,1-4H3,(H,21,22)(H,23,24)/i11D2,12D2
InChIKey
HYHMLYSLQUKXKP-AREBVXNXSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.89
Rotatable bonds
14
H-bond acceptors
3
H-bond donors
3
Molar refractivity
95.01
TPSA
94.83
LogP / Solubility
WLOGP
4.47
MLOGP
3.95
XLogP3
4.8
Consensus LogP
4.41
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.29
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)
-1.65
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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