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CAS 61114-24-7 4-allyl-2-methoxyphenyl isovalerate molecular structure lightbox
CAS RN: 61114-24-7

4-allyl-2-methoxyphenyl isovalerate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260608 1g Out of stock 15 business days Inquiry
  • Product code: SSC-169903
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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 61114-24-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

61114-24-7 / (2-methoxy-4-prop-2-enylphenyl) 3-methylbutanoate

Standard CAS: 61114-24-7 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
61114-24-7
Multi CAS
No
Molecular Formula
C15H20O3
Molecular Weight
248.320000
Exact Mass
248.141245
InChI
InChI=1S/C15H20O3/c1-5-6-12-7-8-13(14(10-12)17-4)18-15(16)9-11(2)3/h5,7-8,10-11H,1,6,9H2,2-4H3
InChIKey
PLUVLWUSXQCTNH-UHFFFAOYSA-N

Physical Properties

Melting Point
85.00 °C. @ 760.00 mm Hg
Boiling Point
221.00 to 223.00 °C. @ 760.00 mm Hg
Physical Description
White solid; Fruity clovelike aroma
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
71.99
TPSA
35.53

LogP / Solubility

WLOGP
3.38
MLOGP
2.98
XLogP3
3.6
Consensus LogP
3.32
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
Class (SILICOS-IT)
Slightly 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)
-1.84

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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