CAS RN: 1449-08-7
24-Methylenecycloartan-3-one
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.20260313 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1449-08-7
- Purity/Analytical Methods: >99.0%
1449-08-7 / (1S,3R,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-one
Basic Information
CAS
1449-08-7
Multi CAS
No
Molecular Formula
C31H50O
Molecular Weight
438.700000
Exact Mass
438.386166
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)CCC(=O)C5(C)C)C)C
InChI
InChI=1S/C31H50O/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/h20,22-25H,3,9-19H2,1-2,4-8H3/t22-,23-,24+,25+,28-,29+,30-,31+/m1/s1
InChIKey
AEAWOMODYBIREN-IPTHFFCUSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Fraction Csp3
0.9
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
134.27
TPSA
17.07
LogP / Solubility
WLOGP
8.62
MLOGP
7.62
XLogP3
10
Consensus LogP
8.75
Log S (ESOL)
-7.66
Class (ESOL)
Insoluble
Log S (Ali)
-9.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.27
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)
0.73
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
9.5
Customers Also Viewed
-
24-methylene cycloartanol
- CAS RN: 1449-09-8
- Product Code: starshine_CAS1449-09-8
- Purity/Analytical method: >99.0%
-
TETRACYCLOHEXYLTIN
- CAS RN: 1449-55-4
- Product Code: starshine_CAS1449-55-4
- Purity/Analytical method: >99.0%
-
-
-
-
