CAS RN: 74649-80-2
Ethyl 4-(4-(4-chlorophenoxy)phenyl)-2,4-dioxobutanoate
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.20251101 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS74649-80-2
- Purity/Analytical Methods: >99.0%
74649-80-2 / ethyl 4-[4-(4-chlorophenoxy)phenyl]-2,4-dioxobutanoate
Basic Information
CAS
74649-80-2
Multi CAS
No
Molecular Formula
C18H15CLO5
Molecular Weight
346.800000
Exact Mass
346.060801
InChI
InChI=1S/C18H15ClO5/c1-2-23-18(22)17(21)11-16(20)12-3-7-14(8-4-12)24-15-9-5-13(19)6-10-15/h3-10H,2,11H2,1H3
InChIKey
RCBASMSEIMZMQR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
88.56
TPSA
69.67
LogP / Solubility
WLOGP
3.84
MLOGP
3.39
XLogP3
4
Consensus LogP
3.74
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.94
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
No
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
