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CAS 84163-22-4 3-(4-Piperidinyl)-1,2-benzisoxazole Hydrochloride molecular structure lightbox
CAS RN: 84163-22-4

3-(4-Piperidinyl)-1,2-benzisoxazole Hydrochloride

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260609 250mg / 1g / 5g Confirm by inquiry Shandong 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260328 1g In stock Shanghai Inquiry
Batchno.20250114 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260301 5g In stock Tianjin, Wuhan Inquiry
  • Product code: starshine_CAS84163-22-4
  • Purity/Analytical Methods: >99.0%
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84163-22-4 / 3-piperidin-4-yl-1,2-benzoxazole;hydrochloride

Standard CAS: 84163-22-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84163-22-4
Multi CAS
Yes
Molecular Formula
C12H15CLN2O
Molecular Weight
238.710000
Exact Mass
238.087291
InChI
InChI=1S/C12H14N2O.ClH/c1-2-4-11-10(3-1)12(14-15-11)9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2;1H
InChIKey
JVRIOVDBNNWSHA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.1
TPSA
38.06

LogP / Solubility

WLOGP
2.72
MLOGP
2.4
XLogP3
2.72
Consensus LogP
2.61
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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