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CAS 793727-95-4 1H-Indole,7-broMo-3-iodo- molecular structure lightbox
CAS RN: 793727-95-4

1H-Indole,7-broMo-3-iodo-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250703 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS793727-95-4
  • Purity/Analytical Methods: >99.0%
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793727-95-4 / 7-bromo-3-iodo-1H-indole

Standard CAS: 793727-95-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
793727-95-4
Multi CAS
No
Molecular Formula
C8H5BRIN
Molecular Weight
321.940000
Exact Mass
320.865010
InChI
InChI=1S/C8H5BrIN/c9-6-3-1-2-5-7(10)4-11-8(5)6/h1-4,11H
InChIKey
ZMUHZDSLSUUPGS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond donors
1
Molar refractivity
58.72
TPSA
15.79

LogP / Solubility

WLOGP
3.54
MLOGP
3.13
XLogP3
3.4
Consensus LogP
3.35
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.17

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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