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CAS 75838-38-9 2,5-DIIODOTOLUENE molecular structure lightbox
CAS RN: 75838-38-9

2,5-DIIODOTOLUENE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250309 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS75838-38-9
  • Purity/Analytical Methods: >99.0%
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75838-38-9 / 1,4-diiodo-2-methylbenzene

Standard CAS: 75838-38-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
75838-38-9
Multi CAS
No
Molecular Formula
C7H6I2
Molecular Weight
343.930000
Exact Mass
343.855900
InChI
InChI=1S/C7H6I2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKey
UOQKIFBSLBFTMS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
Molar refractivity
56.61
TPSA
0.0000

LogP / Solubility

WLOGP
3.2
MLOGP
2.84
XLogP3
3.6
Consensus LogP
3.21
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly 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)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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