CAS RN: 1169805-98-4
Sculponeatin N
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.20250818 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1169805-98-4
- Purity/Analytical Methods: >99.0%
1169805-98-4 / [(1R,2S,4R,9R,10S,13R,14R)-2,14-dihydroxy-5,5,9-trimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl 3-methylbut-2-enoate
orb1297070 | HY-N1258 | AKOS032961593
Basic Information
CAS
1169805-98-4
Multi CAS
Yes
Molecular Formula
C25H40O4
Molecular Weight
404.600000
Exact Mass
404.292660
SMILES
CC(=CC(=O)OC[C@]1(C[C@]23C[C@H]1CC[C@H]2[C@@]4(CCCC([C@H]4C[C@@H]3O)(C)C)C)O)C
InChI
InChI=1S/C25H40O4/c1-16(2)11-21(27)29-15-25(28)14-24-13-17(25)7-8-18(24)23(5)10-6-9-22(3,4)19(23)12-20(24)26/h11,17-20,26,28H,6-10,12-15H2,1-5H3/t17-,18+,19-,20+,23+,24-,25+/m1/s1
InChIKey
HGXSLFHBGBEREA-DDUYGNKYSA-N
Synonyms
orb1297070
HY-N1258
AKOS032961593
DA-67499
FS-10189
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
113.07
TPSA
66.76
LogP / Solubility
WLOGP
4.63
MLOGP
4.1
XLogP3
5.6
Consensus LogP
4.78
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.49
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9.5
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![CAS 1169835-86-2 (3aS,8aS)-(+)-4,4,8,8-Tetrakis(3,5-diMethylphenyl)tetrahydro-2,2-diMethyl-6-phenyl-1,3-dioxolo[4,5-e]dioxaphosphepin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1169835-86-2.gif)
