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CAS 1093058-52-6 HO-1-IN-1 molecular structure lightbox
CAS RN: 1093058-52-6

HO-1-IN-1

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260203 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1093058-52-6
  • Purity/Analytical Methods: >99.0%
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1093058-52-6 / 1-[4-(4-bromophenyl)butyl]imidazole

Heme Oxygenase-1-IN-1 | HO-1-IN-1 | 1-[4-(4-bromophenyl)butyl]-1H-imidazole

Standard CAS: 1093058-52-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1093058-52-6
Multi CAS
No
Molecular Formula
C13H15BrN2
Molecular Weight
279.180000
Exact Mass
278.041860
SMILES
C1=CC(=CC=C1CCCCN2C=CN=C2)Br
InChI
InChI=1S/C13H15BrN2/c14-13-6-4-12(5-7-13)3-1-2-9-16-10-8-15-11-16/h4-8,10-11H,1-3,9H2
InChIKey
FZNINMHMRBYDPR-UHFFFAOYSA-N
Synonyms
Heme Oxygenase-1-IN-1 HO-1-IN-1 1-[4-(4-bromophenyl)butyl]-1H-imidazole 1-[4-(4-bromophenyl)butyl]imidazole CHEMBL4456149

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
69.31
TPSA
17.82

LogP / Solubility

WLOGP
3.67
MLOGP
3.24
XLogP3
3.3
Consensus LogP
3.4
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
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)
-1.82

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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