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CAS 1037298-24-0 2-aMino-5-chloro-4-iodophenol molecular structure lightbox
CAS RN: 1037298-24-0

2-aMino-5-chloro-4-iodophenol

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250702 100mg In stock Shanghai Inquiry
Batchno.20250913 1g In stock Shanghai Inquiry
Batchno.20251120 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1037298-24-0
  • Purity/Analytical Methods: >99.0%
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1037298-24-0 / 2-amino-5-chloro-4-iodophenol

2-Amino-5-chloro-4-iodophenol | MFCD27978469 | SCHEMBL16117970

Standard CAS: 1037298-24-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1037298-24-0
Multi CAS
No
Molecular Formula
C6H5ClINO
Molecular Weight
269.470000
Exact Mass
268.910440
SMILES
C1=C(C(=CC(=C1I)Cl)O)N
InChI
InChI=1S/C6H5ClINO/c7-3-1-6(10)5(9)2-4(3)8/h1-2,10H,9H2
InChIKey
SHJLQMPWDJBRDG-UHFFFAOYSA-N
Synonyms
2-Amino-5-chloro-4-iodophenol MFCD27978469 SCHEMBL16117970 2-amino-5-chloro-4-iodo-phenol SHJLQMPWDJBRDG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.25
TPSA
46.25

LogP / Solubility

WLOGP
2.23
MLOGP
1.97
XLogP3
2.2
Consensus LogP
2.13
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78

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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