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CAS 34715-60-1 2-(p-isobutylphenyl)propionyl chloride molecular structure lightbox
CAS RN: 34715-60-1

2-(p-isobutylphenyl)propionyl chloride

  • Product code: SSC-141322
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 34715-60-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

34715-60-1 / 2-[4-(2-methylpropyl)phenyl]propanoyl chloride

Standard CAS: 34715-60-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34715-60-1
Multi CAS
No
Molecular Formula
C13H17CLO
Molecular Weight
224.720000
Exact Mass
224.096793
InChI
InChI=1S/C13H17ClO/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3
InChIKey
QXVRLFIKHYCFJS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
64.26
TPSA
17.07

LogP / Solubility

WLOGP
3.75
MLOGP
3.31
XLogP3
4.5
Consensus LogP
3.85
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.43

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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