[email protected]
CAS 638-25-5 Amyl n-Octanoate molecular structure lightbox
CAS RN: 638-25-5

Amyl n-Octanoate

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250726 25g / 100g / 500g / 2.5kg / 10kg Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250830 100ml In stock Inquiry
Batchno.20250314 25ml In stock Inquiry
Batchno.20260205 500ml In stock Inquiry
  • Product code: ICTO0028
  • Purity/Analytical Methods: >98.0%(GC)
GET A QUOTE

638-25-5 / pentyl octanoate

Standard CAS: 638-25-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
638-25-5
Multi CAS
No
Molecular Formula
C13H26O2
Molecular Weight
214.340000
Exact Mass
214.193280
InChI
InChI=1S/C13H26O2/c1-3-5-7-8-9-11-13(14)15-12-10-6-4-2/h3-12H2,1-2H3
InChIKey
GJWGZSBNFSBUPX-UHFFFAOYSA-N

Physical Properties

Melting Point
-34 - -35 °C
Density
0.855-0.8562
Physical Description
Liquid colourless liquid with a fruity, orris odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.92
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
63.86
TPSA
26.3

LogP / Solubility

WLOGP
4.08
MLOGP
3.59
XLogP3
4.9
Consensus LogP
4.19
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.64
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)
-1.13

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

Customers Also Viewed

Get In Touch

Contact Us