CAS RN: 949004-12-0
(25S)-Δ7-Dafachronic Acid
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.20250716 | 100μg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS949004-12-0
- Purity/Analytical Methods: >99.0%
949004-12-0 / (2S,6R)-6-[(5S,9R,10S,13R,14R,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
Basic Information
CAS
949004-12-0
Multi CAS
Yes
Molecular Formula
C27H42O3
Molecular Weight
414.600000
Exact Mass
414.313395
InChI
InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h9,17-19,22-24H,5-8,10-16H2,1-4H3,(H,29,30)/t17-,18+,19+,22-,23+,24+,26+,27-/m1/s1
InChIKey
SQTAVUCHOVVOFD-OBRBSRNPSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.85
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
120.01
TPSA
54.37
LogP / Solubility
WLOGP
6.66
MLOGP
5.89
XLogP3
6.4
Consensus LogP
6.32
Log S (ESOL)
-6.21
Class (ESOL)
Insoluble
Log S (Ali)
-7.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.6
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)
-0.52
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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