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CAS 58556-77-7 2,7-Diiodonaphthalene molecular structure lightbox
CAS RN: 58556-77-7

2,7-Diiodonaphthalene

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260512 100mg In stock Tianjin, Wuhan Inquiry
Batchno.20260329 1g In stock Shenzhen, Tianjin Inquiry
Batchno.20260620 250mg In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260529 5g Out of stock Inquiry
  • Product code: starshine_CAS58556-77-7
  • Purity/Analytical Methods: >99.0%
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58556-77-7 / 2,7-diiodonaphthalene

Standard CAS: 58556-77-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
58556-77-7
Multi CAS
No
Molecular Formula
C10H6I2
Molecular Weight
379.960000
Exact Mass
379.855900
InChI
InChI=1S/C10H6I2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6H
InChIKey
VKWGMCDDHNYOBD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Molar refractivity
69.38
TPSA
0.0000

LogP / Solubility

WLOGP
4.05
MLOGP
3.58
XLogP3
4.9
Consensus LogP
4.18
Log S (ESOL)
-5.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.49
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.16

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
1.5

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