CAS RN: 54082-42-7
25,28-Di-epi-cyasterone
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS54082-42-7
- Purity/Analytical Methods: >99.0%
54082-42-7 / 4-[2,3-dihydroxy-3-(2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)butyl]-3,5-dimethyloxolan-2-one
Basic Information
CAS
54082-42-7
Multi CAS
Yes
Molecular Formula
C29H44O8
Molecular Weight
520.700000
Exact Mass
520.303618
InChI
InChI=1S/C29H44O8/c1-14-16(15(2)37-25(14)34)10-24(33)28(5,35)23-7-9-29(36)18-11-20(30)19-12-21(31)22(32)13-26(19,3)17(18)6-8-27(23,29)4/h11,14-17,19,21-24,31-33,35-36H,6-10,12-13H2,1-5H3/t14-,15-,16+,17+,19+,21-,22+,23+,24-,26-,27-,28+,29-/m1/s1
InChIKey
NEFYSBQJYCICOG-KBTANIATSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
5
Molar refractivity
133.9
TPSA
144.52
LogP / Solubility
WLOGP
1.89
MLOGP
1.7
XLogP3
1
Consensus LogP
1.53
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10
Customers Also Viewed
-
BROMOTRICARBONYL(TETRAHYDROFURAN)RHENIU&
- CAS RN: 54082-95-0
- Product Code: starshine_CAS54082-95-0
- Purity/Analytical method: >99.0%
-
2-(1-Hydroxy-1-Methylethyl)-4-Methoxy-7H-furo[3,2-g][1]benzopyran-7-one
- CAS RN: 54087-32-0
- Product Code: starshine_CAS54087-32-0
- Purity/Analytical method: >99.0%
-
Drotaveraldine
- CAS RN: 54088-62-9
- Product Code: starshine_CAS54088-62-9
- Purity/Analytical method: >99.0%
-
1-BROMO-7-METHYLOCTANE
- CAS RN: 54088-99-2
- Product Code: starshine_CAS54088-99-2
- Purity/Analytical method: >99.0%
-
2-CHLORO-5-(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE
- CAS RN: 54090-08-3
- Product Code: SSC-161630
-
![CAS 54087-32-0 2-(1-Hydroxy-1-Methylethyl)-4-Methoxy-7H-furo[3,2-g][1]benzopyran-7-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/54087-32-0.gif)
