CAS RN: 59107-99-2
Dimethyl (2-methylbutyl)malonate
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.20260316 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS59107-99-2
- Purity/Analytical Methods: >99.0%
59107-99-2 / dimethyl 2-(2-methylbutyl)propanedioate
Basic Information
CAS
59107-99-2
Multi CAS
No
Molecular Formula
C10H18O4
Molecular Weight
202.250000
Exact Mass
202.120509
InChI
InChI=1S/C10H18O4/c1-5-7(2)6-8(9(11)13-3)10(12)14-4/h7-8H,5-6H2,1-4H3
InChIKey
NYHSCTJAXMPYJG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
51.59
TPSA
52.6
LogP / Solubility
WLOGP
1.38
MLOGP
1.22
XLogP3
2.4
Consensus LogP
1.67
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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