CAS RN: 36851-11-3
2-CHLORO-N-(2,3-DIHYDRO-1H-INDEN-2-YL)ACETAMIDE
- Product code: SSC-144116
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
36851-11-3 / 2-chloro-N-(2,3-dihydro-1H-inden-2-yl)acetamide
Basic Information
CAS
36851-11-3
Multi CAS
No
Molecular Formula
C11H12CLNO
Molecular Weight
209.670000
Exact Mass
209.060742
InChI
InChI=1S/C11H12ClNO/c12-7-11(14)13-10-5-8-3-1-2-4-9(8)6-10/h1-4,10H,5-7H2,(H,13,14)
InChIKey
YPMXQRVUYBPHMP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.5
TPSA
29.1
LogP / Solubility
WLOGP
1.51
MLOGP
1.33
XLogP3
2.2
Consensus LogP
1.68
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
Class (SILICOS-IT)
Moderately 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)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
.gif)
