CAS RN: 514-07-8
(4aS,6aS,6aR,8aR,12aS,14aS,14bS)-4,4,6a,6a,8a,11,11,14b-octamethyl-2,4 a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250920 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS514-07-8
- Purity/Analytical Methods: >99.0%
514-07-8 / (4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one
Basic Information
CAS
514-07-8
Multi CAS
Yes
Molecular Formula
C30H48O
Molecular Weight
424.700000
Exact Mass
424.370516
InChI
InChI=1S/C30H48O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-23H,10-19H2,1-8H3/t20-,22+,23+,27-,28-,29-,30+/m0/s1
InChIKey
DBCAVZSSFGIHQZ-YLAYQGCQSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
0.9
H-bond acceptors
1
Molar refractivity
129.72
TPSA
17.07
LogP / Solubility
WLOGP
8.38
MLOGP
7.4
XLogP3
9
Consensus LogP
8.26
Log S (ESOL)
-7.75
Class (ESOL)
Insoluble
Log S (Ali)
-9.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.37
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)
0.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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![CAS 514-51-2 [1S-(1alpha,4alpha,7alpha)]-1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-4,7-methanoazulene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/514-51-2.gif)
