CAS RN: 762-29-8
Farnesylacetone
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS762-29-8
- Purity/Analytical Methods: >99.0%
762-29-8 / 6,10,14-trimethylpentadeca-5,9,13-trien-2-one
Basic Information
CAS
762-29-8
Multi CAS
Yes
Molecular Formula
C18H30O
Molecular Weight
262.400000
Exact Mass
262.229666
InChI
InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3
InChIKey
LTUMRKDLVGQMJU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.61
Rotatable bonds
9
H-bond acceptors
1
Molar refractivity
85.33
TPSA
17.07
LogP / Solubility
WLOGP
5.77
MLOGP
5.09
XLogP3
5.6
Consensus LogP
5.49
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.24
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.22
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
-
-
-
TERT-BUTYL FORMATE
- CAS RN: 762-75-4
- Product Code: starshine_CAS762-75-4
- Purity/Analytical method: >99.0%
-
N-TERT-BUTYLACETAMIDE
- CAS RN: 762-84-5
- Product Code: starshine_CAS762-84-5
- Purity/Analytical method: >99.0%
-
-
