![CAS 71916-97-7 spiro[benzofuran-2(3H),1′-Methyl-4′-piperidine] hydrobroMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/71916-97-7.gif)
CAS RN: 71916-97-7
spiro[benzofuran-2(3H),1′-Methyl-4′-piperidine] hydrobroMide
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.20260511 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS71916-97-7
- Purity/Analytical Methods: >99.0%
71916-97-7 / 5-chlorospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride
Basic Information
CAS
71916-97-7
Multi CAS
Yes
Molecular Formula
C12H15CL2NO
Molecular Weight
260.160000
Exact Mass
259.053070
InChI
InChI=1S/C12H14ClNO.ClH/c13-10-1-2-11-9(7-10)8-12(15-11)3-5-14-6-4-12;/h1-2,7,14H,3-6,8H2;1H
InChIKey
OWFHGQNFWJLYHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.87
TPSA
21.26
LogP / Solubility
WLOGP
2.82
MLOGP
2.49
XLogP3
2.82
Consensus LogP
2.71
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly 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)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
