![CAS 1824718-03-7 N-((3aR,4S,7S,8R,8aR)-4-(hydroxymethyl)-2,2-dimethylhexahydro-4,7-epoxy[1,3]dioxolo[4,5-d]oxepin-8-yl)acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1824718-03-7.gif)
CAS RN: 1824718-03-7
N-((3aR,4S,7S,8R,8aR)-4-(hydroxymethyl)-2,2-dimethylhexahydro-4,7-epoxy[1,3]dioxolo[4,5-d]oxepin-8-yl)acetamide
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.20260125 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1824718-03-7
- Purity/Analytical Methods: >99.0%
1824718-03-7 / N-[(1S,2R,6R,7R,8S)-1-(hydroxymethyl)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-yl]acetamide
Basic Information
CAS
1824718-03-7
Multi CAS
No
Molecular Formula
C12H19NO6
Molecular Weight
273.280000
Exact Mass
273.121237
SMILES
CC(=O)N[C@@H]1[C@@H]2[C@H]([C@@]3(CO[C@H]1O3)CO)OC(O2)(C)C
InChI
InChI=1S/C12H19NO6/c1-6(15)13-7-8-9(18-11(2,3)17-8)12(4-14)5-16-10(7)19-12/h7-10,14H,4-5H2,1-3H3,(H,13,15)/t7-,8-,9-,10+,12+/m1/s1
InChIKey
HMTHQRMBTWVCLT-OMHSBUABSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
62.07
TPSA
86.25
LogP / Solubility
WLOGP
-0.87
MLOGP
-0.76
XLogP3
-1.5
Consensus LogP
-1.04
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
6
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