[email protected]
CAS 2777-52-8 8-Ketopalmitic acid molecular structure lightbox
CAS RN: 2777-52-8

8-Ketopalmitic acid

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250215 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS2777-52-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2777-52-8 / 8-oxohexadecanoic acid

Standard CAS: 2777-52-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2777-52-8
Multi CAS
No
Molecular Formula
C16H30O3
Molecular Weight
270.410000
Exact Mass
270.219495
InChI
InChI=1S/C16H30O3/c1-2-3-4-5-6-9-12-15(17)13-10-7-8-11-14-16(18)19/h2-14H2,1H3,(H,18,19)
InChIKey
SEWAOKNHYLYQEL-UHFFFAOYSA-N

Physical Properties

Melting Point
77 - 78 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.88
Rotatable bonds
14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
78.34
TPSA
54.37

LogP / Solubility

WLOGP
4.73
MLOGP
4.17
XLogP3
4.9
Consensus LogP
4.6
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.02
Class (SILICOS-IT)
Insoluble

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)
-1.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
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