CAS RN: 10171-92-3
Dimethyl (S)-(+)-2-Methylglutarate
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.20250424 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: ICTM1230
- Purity/Analytical Methods: >97.0%(GC)
10171-92-3 / dimethyl (2S)-2-methylpentanedioate
Pentanedioic acid, 2-methyl-, 1,5-dimethyl ester | Dimethyl methylglutarate | rhodiasolv iris
Basic Information
CAS
10171-92-3
Multi CAS
Yes
Molecular Formula
C8H14O4
Molecular Weight
174.190000
Exact Mass
174.089209
SMILES
C[C@@H](CCC(=O)OC)C(=O)OC
InChI
InChI=1S/C8H14O4/c1-6(8(10)12-3)4-5-7(9)11-2/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKey
ZWKKRUNHAVNSFW-LURJTMIESA-N
Synonyms
Pentanedioic acid, 2-methyl-, 1,5-dimethyl ester
Dimethyl methylglutarate
rhodiasolv iris
1,5-DIMETHYL 2-METHYLPENTANEDIOATE
Pentanedioic acid, 2-methyl-, dimethyl ester
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
42.43
TPSA
52.6
LogP / Solubility
WLOGP
0.75
MLOGP
0.66
XLogP3
0.8
Consensus LogP
0.74
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-3.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
