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CAS 1222102-49-9 1222102-49-9 molecular structure lightbox
CAS RN: 1222102-49-9

1222102-49-9

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250928 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1222102-49-9
  • Purity/Analytical Methods: >99.0%
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1222102-49-9 / (3R)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one

Standard CAS: 1222102-49-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1222102-49-9
Multi CAS
No
Molecular Formula
C9H18N2O2
Molecular Weight
186.250000
Exact Mass
186.136828
SMILES
CC(C)(C)OC[C@@H]1C(=O)NCCN1
InChI
InChI=1S/C9H18N2O2/c1-9(2,3)13-6-7-8(12)11-5-4-10-7/h7,10H,4-6H2,1-3H3,(H,11,12)/t7-/m1/s1
InChIKey
LCZHEYSGJREGGL-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.51
TPSA
50.36

LogP / Solubility

WLOGP
-0.11
MLOGP
-0.1
XLogP3
-0.2
Consensus LogP
-0.14
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.02
Class (SILICOS-IT)
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)
-3.93

Drug-likeness / Medicinal Chemistry

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

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