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CAS 60341-39-1 (E)-4-Phenyl-2-butenoic acid molecular structure lightbox
CAS RN: 60341-39-1

(E)-4-Phenyl-2-butenoic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250830 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS60341-39-1
  • Purity/Analytical Methods: >99.0%
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60341-39-1 / (E)-4-phenylbut-2-enoic acid

Standard CAS: 60341-39-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60341-39-1
Multi CAS
Yes
Molecular Formula
C10H10O2
Molecular Weight
162.180000
Exact Mass
162.068080
InChI
InChI=1S/C10H10O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-6,8H,7H2,(H,11,12)/b8-4+
InChIKey
SCBUQIQXUBOQAI-XBXARRHUSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.92
TPSA
37.3

LogP / Solubility

WLOGP
1.87
MLOGP
1.64
XLogP3
2.2
Consensus LogP
1.9
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately 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)
-2.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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