CAS RN: 4513-62-6
dimethyl 2-methyl-5-methyleneadipate
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.20250517 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS4513-62-6
- Purity/Analytical Methods: >99.0%
4513-62-6 / dimethyl 2-methyl-5-methylidenehexanedioate
Basic Information
CAS
4513-62-6
Multi CAS
Yes
Molecular Formula
C10H16O4
Molecular Weight
200.230000
Exact Mass
200.104859
InChI
InChI=1S/C10H16O4/c1-7(9(11)13-3)5-6-8(2)10(12)14-4/h8H,1,5-6H2,2-4H3
InChIKey
SUISJNPVANLQPB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.6
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
51.57
TPSA
52.6
LogP / Solubility
WLOGP
1.3
MLOGP
1.15
XLogP3
1.7
Consensus LogP
1.38
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-3.01
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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- Product Code: starshine_CAS4514-04-9
- Purity/Analytical method: >99.0%
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