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CAS 38235-74-4 (R)-2-Phenylpropanal molecular structure lightbox
CAS RN: 38235-74-4

(R)-2-Phenylpropanal

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260415 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS38235-74-4
  • Purity/Analytical Methods: >99.0%
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38235-74-4 / 2-phenylpropanal

Standard CAS: 38235-74-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
38235-74-4
Multi CAS
Yes
Molecular Formula
C9H10O
Molecular Weight
134.170000
Exact Mass
134.073165
InChI
InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3/t8-/m0/s1
InChIKey
IQVAERDLDAZARL-QMMMGPOBSA-N

Physical Properties

Boiling Point
92.00 to 94.00 °C. @ 12.00 mm Hg
Density
0.998-1.006
Physical Description
Liquid; Colourless to pale yellow liquid; Intense, green, floral aroma reminiscent of hyacinth
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
40.92
TPSA
17.07

LogP / Solubility

WLOGP
1.99
MLOGP
1.74
XLogP3
1.9
Consensus LogP
1.88
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-2.13

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
2

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