CAS RN: 16494-24-9
BUTYL 4-(4-ETHOXYPHENOXYCARBONYL)PHENYL CARBONATE
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.20250131 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS16494-24-9
- Purity/Analytical Methods: >99.0%
16494-24-9 / (4-ethoxyphenyl) 4-butoxycarbonyloxybenzoate
Basic Information
CAS
16494-24-9
Multi CAS
No
Molecular Formula
C20H22O6
Molecular Weight
358.400000
Exact Mass
358.141638
SMILES
CCCCOC(=O)OC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCC
InChI
InChI=1S/C20H22O6/c1-3-5-14-24-20(22)26-18-8-6-15(7-9-18)19(21)25-17-12-10-16(11-13-17)23-4-2/h6-13H,3-5,14H2,1-2H3
InChIKey
GIJIKFKGLZGENN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
8
H-bond acceptors
6
Molar refractivity
95.9
TPSA
71.06
LogP / Solubility
WLOGP
4.62
MLOGP
4.08
XLogP3
5.1
Consensus LogP
4.6
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.78
Class (SILICOS-IT)
Insoluble
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)
-1.63
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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