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CAS 35468-44-1 BROMOCYCLOPENTANE-D9 molecular structure lightbox
CAS RN: 35468-44-1

BROMOCYCLOPENTANE-D9

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260513 100mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS35468-44-1
  • Purity/Analytical Methods: >99.0%
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35468-44-1 / 1-bromo-1,2,2,3,3,4,4,5,5-nonadeuteriocyclopentane

Standard CAS: 35468-44-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35468-44-1
Multi CAS
Yes
Molecular Formula
C5H9BR
Molecular Weight
158.080000
Exact Mass
157.045250
InChI
InChI=1S/C5H9Br/c6-5-3-1-2-4-5/h5H,1-4H2/i1D2,2D2,3D2,4D2,5D
InChIKey
BRTFVKHPEHKBQF-UHUJFCCWSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Molar refractivity
31.18
TPSA
0.0000

LogP / Solubility

WLOGP
2.32
MLOGP
2.04
XLogP3
2.3
Consensus LogP
2.22
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-1.98

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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