![CAS 851722-03-7 2-chloro-N-{spiro[1,3-benzodioxole-2,1”-cyclohexane]-6-yl}acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/851722-03-7.gif)
CAS RN: 851722-03-7
2-chloro-N-{spiro[1,3-benzodioxole-2,1”-cyclohexane]-6-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.20250925 | 100mg / 250mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS851722-03-7
- Purity/Analytical Methods: >99.0%
851722-03-7 / 2-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
Basic Information
CAS
851722-03-7
Multi CAS
No
Molecular Formula
C14H16CLNO3
Molecular Weight
281.730000
Exact Mass
281.081871
InChI
InChI=1S/C14H16ClNO3/c15-9-13(17)16-10-4-5-11-12(8-10)19-14(18-11)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2,(H,16,17)
InChIKey
YOOKAYCLVJDOKG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.86
TPSA
47.56
LogP / Solubility
WLOGP
3.3
MLOGP
2.91
XLogP3
3.2
Consensus LogP
3.14
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
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)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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