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CAS 97229-08-8 Pentacyclo[4.2.0.02,5.03,8.04,7]octane, 1,4-diiodo- molecular structure lightbox
CAS RN: 97229-08-8

Pentacyclo[4.2.0.02,5.03,8.04,7]octane, 1,4-diiodo-

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250501 100mg In stock Shanghai Inquiry
Batchno.20250212 1g In stock Shanghai Inquiry
Batchno.20250722 250mg In stock Shanghai Inquiry
Batchno.20251106 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS97229-08-8
  • Purity/Analytical Methods: >99.0%
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97229-08-8 / 1,4-diiodocubane

Standard CAS: 97229-08-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
97229-08-8
Multi CAS
No
Molecular Formula
C8H6I2
Molecular Weight
355.940000
Exact Mass
355.855900
InChI
InChI=1S/C8H6I2/c9-7-1-2-4(7)6-5(7)3(1)8(2,6)10/h1-6H
InChIKey
ZDXGXJUGHIMJOD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Molar refractivity
54.44
TPSA
0.0000

LogP / Solubility

WLOGP
2.1
MLOGP
1.87
XLogP3
2.4
Consensus LogP
2.12
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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