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CAS 29068-27-7 2-Isoxazolin-5-one,3-cyclopentyl-(8CI) molecular structure lightbox
CAS RN: 29068-27-7

2-Isoxazolin-5-one,3-cyclopentyl-(8CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250503 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS29068-27-7
  • Purity/Analytical Methods: >99.0%
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29068-27-7 / 3-cyclopentyl-4H-1,2-oxazol-5-one

Standard CAS: 29068-27-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
29068-27-7
Multi CAS
No
Molecular Formula
C8H11NO2
Molecular Weight
153.180000
Exact Mass
153.078979
InChI
InChI=1S/C8H11NO2/c10-8-5-7(9-11-8)6-3-1-2-4-6/h6H,1-5H2
InChIKey
RPMYHJXYOXFQKQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
40.1
TPSA
38.66

LogP / Solubility

WLOGP
1.48
MLOGP
1.3
XLogP3
1.6
Consensus LogP
1.46
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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