CAS RN: 480439-84-7
Lucialdehyde B
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.20250502 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS480439-84-7
- Purity/Analytical Methods: >99.0%
480439-84-7 / (E,6R)-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7-dioxo-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-2-enal
Basic Information
CAS
480439-84-7
Multi CAS
Yes
Molecular Formula
C30H44O3
Molecular Weight
452.700000
Exact Mass
452.329045
InChI
InChI=1S/C30H44O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,18,20-21,24H,8,10-17H2,1-7H3/b19-9+/t20-,21-,24+,28-,29-,30+/m1/s1
InChIKey
KZOBOICRKKYGAQ-GOUGDUPLSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Fraction Csp3
0.77
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
132.66
TPSA
51.21
LogP / Solubility
WLOGP
7.05
MLOGP
6.23
XLogP3
6.3
Consensus LogP
6.53
Log S (ESOL)
-6.76
Class (ESOL)
Insoluble
Log S (Ali)
-8.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.05
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)
-0.48
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
6
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