CAS RN: 899821-23-9
ACP-105
Product Availability
Choose a grade to view its available package options.
14 package records13 with current stock4 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260212 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250707 | 5mg / 10mg / 50mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250210 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250219 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260213 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20251219 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250623 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250228 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS899821-23-9
- Purity/Analytical Methods: >99.0%
899821-23-9 / 2-chloro-4-(3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzonitrile
Basic Information
CAS
899821-23-9
Multi CAS
Yes
Molecular Formula
C16H19CLN2O
Molecular Weight
290.790000
Exact Mass
290.118591
InChI
InChI=1S/C16H19ClN2O/c1-10-14(6-3-11(9-18)15(10)17)19-12-4-5-13(19)8-16(2,20)7-12/h3,6,12-13,20H,4-5,7-8H2,1-2H3/t12-,13+,16?
InChIKey
OUEODVPKPRQETQ-OCZCAGDBSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
80.05
TPSA
47.26
LogP / Solubility
WLOGP
3.4
MLOGP
3
XLogP3
3.4
Consensus LogP
3.27
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5
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