CAS RN: 1186-79-4
2,3-DIETHYLSUCCINIC 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.20250301 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1186-79-4
- Purity/Analytical Methods: >99.0%
1186-79-4 / 2,3-diethylbutanedioic acid
2,3-DIETHYLSUCCINIC ACID | 2,3-diethylbutanedioic acid | meso-2,3-Diethylbutanedioic acid
Basic Information
CAS
1186-79-4
Multi CAS
No
Molecular Formula
C8H14O4
Molecular Weight
174.190000
Exact Mass
174.089209
SMILES
CCC(C(CC)C(=O)O)C(=O)O
InChI
InChI=1S/C8H14O4/c1-3-5(7(9)10)6(4-2)8(11)12/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKey
KJXMXCRSMLOXBM-UHFFFAOYSA-N
Synonyms
2,3-DIETHYLSUCCINIC ACID
2,3-diethylbutanedioic acid
meso-2,3-Diethylbutanedioic acid
racemic-2,3-Diethylbutanedioic acid
MFCD02258550
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.83
TPSA
74.6
LogP / Solubility
WLOGP
1.21
MLOGP
1.06
XLogP3
1.1
Consensus LogP
1.12
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.39
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)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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- Product Code: starshine_CAS1186-98-7
- Purity/Analytical method: >99.0%
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