CAS RN: 68422-20-8
(9β,10α,23E)-3α,16α,20,25-Tetrahydroxy-9-methyl-19-norlanosta-5,23-diene-2,11,22-trione
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.20250522 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS68422-20-8
- Purity/Analytical Methods: >99.0%
68422-20-8 / 17-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,11-dione
Basic Information
CAS
68422-20-8
Multi CAS
Yes
Molecular Formula
C30H44O7
Molecular Weight
516.700000
Exact Mass
516.308704
InChI
InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17,19-20,23-24,32,35-37H,10,13-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1
InChIKey
ALPSEMFPAVSKJO-DJMAWCNKSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Fraction Csp3
0.77
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
4
Molar refractivity
138.22
TPSA
132.13
LogP / Solubility
WLOGP
2.93
MLOGP
2.62
XLogP3
1.9
Consensus LogP
2.48
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.93
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
Yes
Log Kp (skin permeation)
-3.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9
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