[email protected]
CAS 68937-75-7 Octocapric acid molecular structure lightbox
CAS RN: 68937-75-7

Octocapric acid

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250108 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS68937-75-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

68937-75-7 / nonanoic acid

Standard CAS: 68937-75-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
68937-75-7
Multi CAS
Yes
Molecular Formula
C9H18O2
Molecular Weight
158.240000
Exact Mass
158.130680
InChI
InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
InChIKey
FBUKVWPVBMHYJY-UHFFFAOYSA-N

Physical Properties

Melting Point
12.4 °C 12.3 °C
Boiling Point
254.5 °C Boiling point = 255.6 °C
Density
0.9052 g/cu cm at 20 °C 0.901-0.906
Physical Description
Liquid Colorless or yellowish liquid; mp = 12.5 deg C; [Hawley] colourless to pale yellow liquid
Appearance
Colorless, oily liquid at ordinary temp; crystallizes when cooled Yellowish oil
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.89
Rotatable bonds
7
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.63
TPSA
37.3

LogP / Solubility

WLOGP
2.82
MLOGP
2.48
XLogP3
3.5
Consensus LogP
2.93
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.87
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)
-1.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us