CAS RN: 154184-99-3
PENTANEDIOIC-D6 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.20250909 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS154184-99-3
- Purity/Analytical Methods: >99.0%
154184-99-3 / 2,2,3,3,4,4-hexadeuteriopentanedioic acid
Basic Information
CAS
154184-99-3
Multi CAS
No
Molecular Formula
C5H8O4
Molecular Weight
138.150000
Exact Mass
138.079919
SMILES
[2H]C([2H])(C(=O)O)C([2H])([2H])C([2H])([2H])C(=O)O
InChI
InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)/i1D2,2D2,3D2
InChIKey
JFCQEDHGNNZCLN-NMFSSPJFSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
29.12
TPSA
74.6
LogP / Solubility
WLOGP
0.33
MLOGP
0.28
XLogP3
-0.3
Consensus LogP
0.1
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.27
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)
-3.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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