CAS RN: 7121-99-5
(13S)-10-Demethyl-9α-methylpimarane-5α,15,16-triol
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.20251125 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS7121-99-5
- Purity/Analytical Methods: >99.0%
7121-99-5 / 1-(8a-hydroxy-2,4a,8,8-tetramethyl-1,3,4,4b,5,6,7,9,10,10a-decahydrophenanthren-2-yl)ethane-1,2-diol
Basic Information
CAS
7121-99-5
Multi CAS
Yes
Molecular Formula
C20H36O3
Molecular Weight
324.500000
Exact Mass
324.266445
InChI
InChI=1S/C20H36O3/c1-17(2)8-5-6-15-19(4)11-10-18(3,16(22)13-21)12-14(19)7-9-20(15,17)23/h14-16,21-23H,5-13H2,1-4H3
InChIKey
OBDGLMHTEAXTDJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
91.95
TPSA
60.69
LogP / Solubility
WLOGP
3.5
MLOGP
3.1
XLogP3
3.7
Consensus LogP
3.43
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
Customers Also Viewed
-
-
-
-
-
1H-Pyrrole-2-carboxylicacid,3-cyano-,ethylester(9CI)
- CAS RN: 7126-44-5
- Product Code: SSC-180912
-
