![CAS 86293-25-6 2-[(2R)-3α-[(3E,6E)-5-Hydroxy-4,8,12-trimethyl-3,6,11-tridecatrienyl]-3,4-dimethyl-4β-hydroxy-2β-(3-hydroxypropyl)cyclohexylidene]propanal molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/86293-25-6.gif)
CAS RN: 86293-25-6
2-[(2R)-3α-[(3E,6E)-5-Hydroxy-4,8,12-trimethyl-3,6,11-tridecatrienyl]-3,4-dimethyl-4β-hydroxy-2β-(3-hydroxypropyl)cyclohexylidene]propanal
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250306 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS86293-25-6
- Purity/Analytical Methods: >99.0%
86293-25-6 / (2Z)-2-[(2R,3S,4S)-4-hydroxy-2-(3-hydroxypropyl)-3-[(3E,5R,7E)-5-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dimethylcyclohexylidene]propanal
Basic Information
CAS
86293-25-6
Multi CAS
Yes
Molecular Formula
C30H50O4
Molecular Weight
474.700000
Exact Mass
474.370910
InChI
InChI=1S/C30H50O4/c1-22(2)11-8-12-23(3)15-16-28(33)24(4)13-9-18-29(6)27(14-10-20-31)26(25(5)21-32)17-19-30(29,7)34/h11,13,15,21,27-28,31,33-34H,8-10,12,14,16-20H2,1-7H3/b23-15+,24-13+,26-25-/t27-,28-,29+,30+/m1/s1
InChIKey
KVTCHSWVSFQOTP-YFPNSAJKSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Fraction Csp3
0.7
Rotatable bonds
13
H-bond acceptors
4
H-bond donors
3
Molar refractivity
142.58
TPSA
77.76
LogP / Solubility
WLOGP
6.61
MLOGP
5.85
XLogP3
5.8
Consensus LogP
6.09
Log S (ESOL)
-6.09
Class (ESOL)
Insoluble
Log S (Ali)
-8.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.79
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)
-0.92
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
4.5
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