CAS RN: 1174047-40-5
25-Hydroxy-cholesterol 3-Sulfate Ester Sodium Salt
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250521 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1174047-40-5
- Purity/Analytical Methods: >99.0%
1174047-40-5 / sodium [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate
Sodium larsucosterol | Larsucosterol sodium | DUR-928 sodium
Basic Information
CAS
1174047-40-5
Multi CAS
Yes
Molecular Formula
C27H45NaO5S
Molecular Weight
504.700000
Exact Mass
504.288540
SMILES
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)[O-])C)C.[Na+]
InChI
InChI=1S/C27H46O5S.Na/c1-18(7-6-14-25(2,3)28)22-10-11-23-21-9-8-19-17-20(32-33(29,30)31)12-15-26(19,4)24(21)13-16-27(22,23)5;/h8,18,20-24,28H,6-7,9-17H2,1-5H3,(H,29,30,31);/q;+1/p-1/t18-,20+,21+,22-,23+,24+,26+,27-;/m1./s1
InChIKey
OEGAOHNRCSZIRO-KSGNISEOSA-M
Synonyms
Sodium larsucosterol
Larsucosterol sodium
DUR-928 sodium
71A5JOPBE8
Larsucosterol sodium [USAN]
Computed Properties
Structural Parameters
Heavy atom count
34
Fraction Csp3
0.93
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
129.08
TPSA
86.66
LogP / Solubility
WLOGP
2.99
MLOGP
2.67
XLogP3
2.99
Consensus LogP
2.88
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.26
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.67
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
7
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