CAS RN: 1449-09-8
24-methylene cycloartanol
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250524 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS1449-09-8
- Purity/Analytical Methods: >99.0%
1449-09-8 / (1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
Basic Information
CAS
1449-09-8
Multi CAS
No
Molecular Formula
C31H52O
Molecular Weight
440.700000
Exact Mass
440.401816
SMILES
C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)O)C)C
InChI
InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22-,23-,24+,25+,26+,28-,29+,30-,31+/m1/s1
InChIKey
BDHQMRXFDYJGII-UEBIAWITSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Fraction Csp3
0.94
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
135.27
TPSA
20.23
LogP / Solubility
WLOGP
8.41
MLOGP
7.43
XLogP3
10.3
Consensus LogP
8.71
Log S (ESOL)
-7.54
Class (ESOL)
Insoluble
Log S (Ali)
-9.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.11
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)
0.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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- Product Code: starshine_CAS1449-55-4
- Purity/Analytical method: >99.0%
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