[email protected]
CAS 4179-44-6 8-(5-HEXYL-2-FURYL)-OCTANOIC ACID molecular structure lightbox
CAS RN: 4179-44-6

8-(5-HEXYL-2-FURYL)-OCTANOIC ACID

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250503 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS4179-44-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

4179-44-6 / 8-(5-hexylfuran-2-yl)octanoic acid

Standard CAS: 4179-44-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4179-44-6
Multi CAS
No
Molecular Formula
C18H30O3
Molecular Weight
294.400000
Exact Mass
294.219495
InChI
InChI=1S/C18H30O3/c1-2-3-4-8-11-16-14-15-17(21-16)12-9-6-5-7-10-13-18(19)20/h14-15H,2-13H2,1H3,(H,19,20)
InChIKey
SZNVIDWMWMWUCY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.72
Rotatable bonds
13
H-bond acceptors
2
H-bond donors
1
Molar refractivity
85.6
TPSA
50.44

LogP / Solubility

WLOGP
5.37
MLOGP
4.74
XLogP3
5.9
Consensus LogP
5.34
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.59
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)
-0.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us