[email protected]
CAS 51-77-4 Gefarnate molecular structure lightbox
CAS RN: 51-77-4

Gefarnate

Product Availability

Choose a grade to view its available package options.

3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260112 100mg Out of stock 5-7 business days Inquiry
Batchno.20250119 100mg Out of stock Inquiry
Batchno.20260609 250mg Out of stock Inquiry
  • Product code: starshine_CAS51-77-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

51-77-4 / 3,7-dimethylocta-2,6-dienyl 5,9,13-trimethyltetradeca-4,8,12-trienoate

Standard CAS: 51-77-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51-77-4
Multi CAS
Yes
Molecular Formula
C27H44O2
Molecular Weight
400.600000
Exact Mass
400.334131
InChI
InChI=1S/C27H44O2/c1-22(2)12-8-14-24(5)16-10-17-25(6)18-11-19-27(28)29-21-20-26(7)15-9-13-23(3)4/h12-13,16,18,20H,8-11,14-15,17,19,21H2,1-7H3/b24-16+,25-18+,26-20+
InChIKey
ZPACYDRSPFRDHO-ROBAGEODSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.59
Rotatable bonds
14
H-bond acceptors
2
Molar refractivity
128.03
TPSA
26.3

LogP / Solubility

WLOGP
8.42
MLOGP
7.44
XLogP3
9.1
Consensus LogP
8.32
Log S (ESOL)
-6.71
Class (ESOL)
Insoluble
Log S (Ali)
-8.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.93
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.82

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us