CAS RN: 2361548-00-5
Filicane-3β,4α,25-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.20250924 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2361548-00-5
- Purity/Analytical Methods: >99.0%
2361548-00-5 / (3R,3aR,5aR,5bR,7aS,8S,9S,11aS,11bS,13aS,13bR)-11b-(hydroxymethyl)-3a,5a,7a,8,13a-pentamethyl-3-propan-2-yl-2,3,4,5,5b,6,7,9,10,11,11a,12,13,13b-tetradecahydro-1H-cyclopenta[a]chrysene-8,9-diol
Basic Information
CAS
2361548-00-5
Multi CAS
No
Molecular Formula
C30H52O3
Molecular Weight
460.700000
Exact Mass
460.391646
SMILES
CC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@]3([C@]2(CC[C@@]4([C@@H]3CC[C@]5([C@H]4CC[C@@H]([C@@]5(C)O)O)C)CO)C)C)C
InChI
InChI=1S/C30H52O3/c1-19(2)20-8-9-21-25(20,3)14-15-27(5)23-12-13-28(6)22(10-11-24(32)29(28,7)33)30(23,18-31)17-16-26(21,27)4/h19-24,31-33H,8-18H2,1-7H3/t20-,21-,22-,23-,24+,25-,26+,27-,28+,29-,30-/m1/s1
InChIKey
RQANQCHOVARRDE-DPYKAGKOSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
133.55
TPSA
60.69
LogP / Solubility
WLOGP
6.19
MLOGP
5.48
XLogP3
7.1
Consensus LogP
6.26
Log S (ESOL)
-6.47
Class (ESOL)
Insoluble
Log S (Ali)
-7.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.03
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
9
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