CAS RN: 14004-35-4
Eucalyptin acetate
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.20250605 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS14004-35-4
- Purity/Analytical Methods: >99.0%
14004-35-4 / [7-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-oxochromen-5-yl] acetate
Basic Information
CAS
14004-35-4
Multi CAS
No
Molecular Formula
C21H20O6
Molecular Weight
368.400000
Exact Mass
368.125988
SMILES
CC1=C2C(=C(C(=C1OC)C)OC(=O)C)C(=O)C=C(O2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H20O6/c1-11-19(25-5)12(2)21-18(20(11)26-13(3)22)16(23)10-17(27-21)14-6-8-15(24-4)9-7-14/h6-10H,1-5H3
InChIKey
XCJBAXUKWUWAJL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
101.81
TPSA
74.97
LogP / Solubility
WLOGP
4.02
MLOGP
3.56
XLogP3
3.6
Consensus LogP
3.73
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.87
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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