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CAS 34177-53-2 3-(4-Isopropyl-phenyl)-dihydro-furan-2,5-dione molecular structure lightbox
CAS RN: 34177-53-2

3-(4-Isopropyl-phenyl)-dihydro-furan-2,5-dione

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250601 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS34177-53-2
  • Purity/Analytical Methods: >99.0%
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34177-53-2 / 3-(4-propan-2-ylphenyl)oxolane-2,5-dione

Standard CAS: 34177-53-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34177-53-2
Multi CAS
No
Molecular Formula
C13H14O3
Molecular Weight
218.250000
Exact Mass
218.094294
InChI
InChI=1S/C13H14O3/c1-8(2)9-3-5-10(6-4-9)11-7-12(14)16-13(11)15/h3-6,8,11H,7H2,1-2H3
InChIKey
QSHDPBIZBSOQPQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
58.99
TPSA
43.37

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
2.4
Consensus LogP
2.29
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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)
-2.37

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
2

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