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CAS 51129-01-2 3-Hydroxy-3-Phenylazepan-2-One(WXC01374) molecular structure lightbox
CAS RN: 51129-01-2

3-Hydroxy-3-Phenylazepan-2-One(WXC01374)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250313 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS51129-01-2
  • Purity/Analytical Methods: >99.0%
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51129-01-2 / 3-hydroxy-3-phenylazepan-2-one

Standard CAS: 51129-01-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51129-01-2
Multi CAS
No
Molecular Formula
C12H15NO2
Molecular Weight
205.250000
Exact Mass
205.110279
InChI
InChI=1S/C12H15NO2/c14-11-12(15,8-4-5-9-13-11)10-6-2-1-3-7-10/h1-3,6-7,15H,4-5,8-9H2,(H,13,14)
InChIKey
OCIAAOQWPUUHNB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.2
TPSA
49.33

LogP / Solubility

WLOGP
1.17
MLOGP
1.03
XLogP3
1.3
Consensus LogP
1.17
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
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)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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