CAS RN: 1260173-73-6
3-Oxo-21alpha-methoxy-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone
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.20250410 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1260173-73-6
- Purity/Analytical Methods: >99.0%
1260173-73-6 / 5-methoxy-4-(4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxolan-2-one
Basic Information
CAS
1260173-73-6
Multi CAS
No
Molecular Formula
C27H40O4
Molecular Weight
428.600000
Exact Mass
428.292660
SMILES
CC1(C2CC=C3C(C2(CCC1=O)C)CCC4(C3(CCC4C5CC(=O)OC5OC)C)C)C
InChI
InChI=1S/C27H40O4/c1-24(2)20-8-7-19-18(25(20,3)12-11-21(24)28)10-14-26(4)17(9-13-27(19,26)5)16-15-22(29)31-23(16)30-6/h7,16-18,20,23H,8-15H2,1-6H3
InChIKey
XFNPHQKEXAQLKO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
118.98
TPSA
52.6
LogP / Solubility
WLOGP
5.7
MLOGP
5.04
XLogP3
5.5
Consensus LogP
5.41
Log S (ESOL)
-5.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.41
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)
-1.29
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
7.5
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