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CAS 914299-71-1 6-chloro-2-piperazin-1-yl-1,3-benzoxazole(SALTDATA: FREE) molecular structure lightbox
CAS RN: 914299-71-1

6-chloro-2-piperazin-1-yl-1,3-benzoxazole(SALTDATA: FREE)

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260423 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260427 1g In stock Shanghai Inquiry
Batchno.20260218 250mg In stock Shanghai Inquiry
Batchno.20250316 5g Out of stock Inquiry
  • Product code: starshine_CAS914299-71-1
  • Purity/Analytical Methods: >99.0%
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914299-71-1 / 6-chloro-2-piperazin-1-yl-1,3-benzoxazole

Standard CAS: 914299-71-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
914299-71-1
Multi CAS
No
Molecular Formula
C11H12CLN3O
Molecular Weight
237.680000
Exact Mass
237.066890
InChI
InChI=1S/C11H12ClN3O/c12-8-1-2-9-10(7-8)16-11(14-9)15-5-3-13-4-6-15/h1-2,7,13H,3-6H2
InChIKey
ODZNQUZKQXEWIX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.1
TPSA
41.3

LogP / Solubility

WLOGP
1.89
MLOGP
1.67
XLogP3
2.6
Consensus LogP
2.05
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83

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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