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CAS 7425-27-6 4-IODOBUTYRIC ACID molecular structure lightbox
CAS RN: 7425-27-6

4-IODOBUTYRIC ACID

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250717 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS7425-27-6
  • Purity/Analytical Methods: >99.0%
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7425-27-6 / 4-iodobutanoic acid

Standard CAS: 7425-27-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7425-27-6
Multi CAS
No
Molecular Formula
C4H7IO2
Molecular Weight
214.000000
Exact Mass
213.949080
InChI
InChI=1S/C4H7IO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)
InChIKey
HALXOXQZONRCAB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.76
TPSA
37.3

LogP / Solubility

WLOGP
1.29
MLOGP
1.13
XLogP3
1.6
Consensus LogP
1.34
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-3.11

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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