[email protected]
CAS 24817-51-4 FEMA 3632 molecular structure lightbox
CAS RN: 24817-51-4

FEMA 3632

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251117 100g In stock Shanghai, Shandong Inquiry
Batchno.20251019 25g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20250212 500g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS24817-51-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

24817-51-4 / 2-phenylethyl 2-methylbutanoate

Standard CAS: 24817-51-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
24817-51-4
Multi CAS
No
Molecular Formula
C13H18O2
Molecular Weight
206.280000
Exact Mass
206.130680
SMILES
CCC(C)C(=O)OCCC1=CC=CC=C1
InChI
InChI=1S/C13H18O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
InChIKey
KVKKTLBBYFABAZ-UHFFFAOYSA-N

Physical Properties

Boiling Point
136.00 °C. @ 30.00 mm Hg
Density
0.974-0.980
Physical Description
Colourless liquid; sweet floral fruity odour with a warm, oily-herbaceous undertone
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
60.56
TPSA
26.3

LogP / Solubility

WLOGP
2.82
MLOGP
2.48
XLogP3
3.5
Consensus LogP
2.93
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-1.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us