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CAS 1820674-66-5 5-(Bromomethyl)-1-methylpyrrolidin-2-one molecular structure lightbox
CAS RN: 1820674-66-5

5-(Bromomethyl)-1-methylpyrrolidin-2-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250522 50mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1820674-66-5
  • Purity/Analytical Methods: >99.0%
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1820674-66-5 / 5-(bromomethyl)-1-methylpyrrolidin-2-one

Standard CAS: 1820674-66-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1820674-66-5
Multi CAS
No
Molecular Formula
C6H10BrNO
Molecular Weight
192.050000
Exact Mass
190.994580
SMILES
CN1C(CCC1=O)CBr
InChI
InChI=1S/C6H10BrNO/c1-8-5(4-7)2-3-6(8)9/h5H,2-4H2,1H3
InChIKey
JUPATYQJRQJNSF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
39.59
TPSA
20.31

LogP / Solubility

WLOGP
1
MLOGP
0.88
XLogP3
0.6
Consensus LogP
0.83
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-3.18

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
2

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