CAS RN: 6768-23-6
Diethyl 4-methoxybenzalmalonate
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.20250302 | 500mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS6768-23-6
- Purity/Analytical Methods: >99.0%
6768-23-6 / diethyl 2-[(4-methoxyphenyl)methylidene]propanedioate
Basic Information
CAS
6768-23-6
Multi CAS
Yes
Molecular Formula
C15H18O5
Molecular Weight
278.300000
Exact Mass
278.115424
InChI
InChI=1S/C15H18O5/c1-4-19-14(16)13(15(17)20-5-2)10-11-6-8-12(18-3)9-7-11/h6-10H,4-5H2,1-3H3
InChIKey
KUBLMWHFTKNBHL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
74.24
TPSA
61.83
LogP / Solubility
WLOGP
2.2
MLOGP
1.95
XLogP3
3.3
Consensus LogP
2.48
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly 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)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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- CAS RN: 6769-80-8
- Product Code: starshine_CAS6769-80-8
- Purity/Analytical method: >99.0%
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