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CAS 64385-02-0 2,3,4,5,6-pentaiodobenzoic acid molecular structure lightbox
CAS RN: 64385-02-0

2,3,4,5,6-pentaiodobenzoic acid

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250915 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS64385-02-0
  • Purity/Analytical Methods: >99.0%
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64385-02-0 / 2,3,4,5,6-pentaiodobenzoic acid

Standard CAS: 64385-02-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
64385-02-0
Multi CAS
No
Molecular Formula
C7HI5O2
Molecular Weight
751.600000
Exact Mass
751.520000
InChI
InChI=1S/C7HI5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)
InChIKey
LNLWJOZRHQPFML-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
96.99
TPSA
37.3

LogP / Solubility

WLOGP
4.41
MLOGP
3.95
XLogP3
4.7
Consensus LogP
4.35
Log S (ESOL)
-7.53
Class (ESOL)
Insoluble
Log S (Ali)
-8.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.32
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.18

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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