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CAS 34906-84-8 ETHYL 4-ISO-PROPYLBENZOYLFORMATE molecular structure lightbox
CAS RN: 34906-84-8

ETHYL 4-ISO-PROPYLBENZOYLFORMATE

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250820 10g Out of stock Inquiry
Batchno.20250210 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251122 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260312 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: starshine_CAS34906-84-8
  • Purity/Analytical Methods: >99.0%
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34906-84-8 / ethyl 2-oxo-2-(4-propan-2-ylphenyl)acetate

Standard CAS: 34906-84-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34906-84-8
Multi CAS
No
Molecular Formula
C13H16O3
Molecular Weight
220.260000
Exact Mass
220.109944
InChI
InChI=1S/C13H16O3/c1-4-16-13(15)12(14)11-7-5-10(6-8-11)9(2)3/h5-9H,4H2,1-3H3
InChIKey
CGCCWTUTQYRMIO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
61.49
TPSA
43.37

LogP / Solubility

WLOGP
2.56
MLOGP
2.25
XLogP3
3.1
Consensus LogP
2.64
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly 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)
-2.25

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
1.5

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