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CAS 95-09-0 Bicyclo[2.2.1]hept-2-ene, 5-(chloromethyl)- molecular structure lightbox
CAS RN: 95-09-0

Bicyclo[2.2.1]hept-2-ene, 5-(chloromethyl)-

Product Availability

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5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260520 10g Out of stock Inquiry
Batchno.20250215 1g In stock Shanghai Inquiry
Batchno.20250106 250mg In stock Shanghai Inquiry
Batchno.20260121 25g Out of stock Inquiry
Batchno.20250509 5g Out of stock Inquiry
  • Product code: starshine_CAS95-09-0
  • Purity/Analytical Methods: >99.0%
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95-09-0 / 5-(chloromethyl)bicyclo[2.2.1]hept-2-ene

Standard CAS: 95-09-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
95-09-0
Multi CAS
Yes
Molecular Formula
C8H11CL
Molecular Weight
142.620000
Exact Mass
142.054928
InChI
InChI=1S/C8H11Cl/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5H2
InChIKey
UVFFMASFIIKUOD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.75
Rotatable bonds
1
Molar refractivity
39.56
TPSA
0.0000

LogP / Solubility

WLOGP
2.44
MLOGP
2.14
XLogP3
2.5
Consensus LogP
2.36
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-1.86

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
5

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