CAS RN: 155178-03-3
Ergosta-2,5,24-trien-26-oicacid, 4,14,17,20,22-pentahydroxy-1-oxo-, d-lactone, (4b,17a,22R)-
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.20260408 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS155178-03-3
- Purity/Analytical Methods: >99.0%
155178-03-3 / (2R)-2-[(1S)-1-hydroxy-1-[(4S,8R,9S,10R,13S,14R,17S)-4,14,17-trihydroxy-10,13-dimethyl-1-oxo-4,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
Basic Information
CAS
155178-03-3
Multi CAS
No
Molecular Formula
C28H38O7
Molecular Weight
486.600000
Exact Mass
486.261754
SMILES
CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@@]2(CC[C@@]3([C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(C(=O)C=C[C@@H]5O)C)C)O)O)O)C
InChI
InChI=1S/C28H38O7/c1-15-14-22(35-23(31)16(15)2)26(5,32)28(34)13-12-27(33)18-6-7-19-20(29)8-9-21(30)25(19,4)17(18)10-11-24(27,28)3/h7-9,17-18,20,22,29,32-34H,6,10-14H2,1-5H3/t17-,18+,20-,22+,24-,25+,26-,27+,28-/m0/s1
InChIKey
WDHSBASYULCSAT-INQWNKEXSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
4
Molar refractivity
127.91
TPSA
124.29
LogP / Solubility
WLOGP
2.51
MLOGP
2.25
XLogP3
1.3
Consensus LogP
2.02
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-3.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8
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