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CAS 1128-62-7 6-Iodo-2-Methyl Quinoline molecular structure lightbox
CAS RN: 1128-62-7

6-Iodo-2-Methyl Quinoline

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260410 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1128-62-7
  • Purity/Analytical Methods: >99.0%
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1128-62-7 / 6-iodo-2-methylquinoline

6-IODO-2-METHYLQUINOLINE | DTXSID60503426 | RefChem:308636

Standard CAS: 1128-62-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1128-62-7
Multi CAS
No
Molecular Formula
C10H8IN
Molecular Weight
269.080000
Exact Mass
268.970150
SMILES
CC1=NC2=C(C=C1)C=C(C=C2)I
InChI
InChI=1S/C10H8IN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6H,1H3
InChIKey
UZQAGMMXXQXWOK-UHFFFAOYSA-N
Synonyms
6-IODO-2-METHYLQUINOLINE DTXSID60503426 RefChem:308636 DTXCID50454236 6-IODO-2-METHYL-QUINOLINE

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
Molar refractivity
59.2
TPSA
12.89

LogP / Solubility

WLOGP
3.15
MLOGP
2.78
XLogP3
3.2
Consensus LogP
3.04
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13

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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