Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1818847-92-5 / methyl 2-(5-methylpiperidin-3-yl)acetate
Basic Information
CAS
1818847-92-5
Multi CAS
No
Molecular Formula
C9H17NO2
Molecular Weight
171.240000
Exact Mass
171.125929
SMILES
CC1CC(CNC1)CC(=O)OC
InChI
InChI=1S/C9H17NO2/c1-7-3-8(6-10-5-7)4-9(11)12-2/h7-8,10H,3-6H2,1-2H3
InChIKey
VAAAHZNZNFHBKO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.77
TPSA
38.33
LogP / Solubility
WLOGP
0.8
MLOGP
0.7
XLogP3
0.8
Consensus LogP
0.77
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
tert-butyl (2S)-2-(methylaminomethyl)azetidine-1-carboxylate
- CAS RN: 1818864-93-5
- Product Code: SSC-082709
-
-
2-chloro-4-[trans-3-amino-2,2,4,4-tetramethylcyclobutoxy]benzonitrile
- CAS RN: 1818885-54-9
- Product Code: SSC-082712
-
4-((1r,3r)-3-amino-2,2,4,4-tetramethylcyclobutoxy)-2-chlorobenzonitrile hydrochloride
- CAS RN: 1818885-55-0
- Product Code: SSC-082713
-
Ethanamine,2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]-
- CAS RN: 1818885-57-2
- Product Code: starshine_CAS1818885-57-2
- Purity/Analytical method: >99.0%
-
4-((2-(2-(2-(2-(4-aminophenoxy)ethoxy)ethoxy)ethoxy)ethyl)amino)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
- CAS RN: 1818885-63-0
- Product Code: SSC-082714
![CAS 1818885-54-9 2-chloro-4-[trans-3-amino-2,2,4,4-tetramethylcyclobutoxy]benzonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1818885-54-9.gif)
![CAS 1818885-57-2 Ethanamine,2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1818885-57-2.gif)
