CAS RN: 1092851-70-1
HO-1-IN-1 hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251224 | 5mg / 10mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1092851-70-1
- Purity/Analytical Methods: >99.0%
1092851-70-1 / 1-[4-(4-bromophenyl)butyl]imidazole;hydrochloride
HO-1-IN-1 hydrochloride | Heme Oxygenase-1-IN-1 (hydrochloride) | 1-[4-(4-bromophenyl)butyl]imidazole;hydrochloride
Basic Information
CAS
1092851-70-1
Multi CAS
No
Molecular Formula
C13H16BrClN2
Molecular Weight
315.630000
Exact Mass
314.018540
SMILES
C1=CC(=CC=C1CCCCN2C=CN=C2)Br.Cl
InChI
InChI=1S/C13H15BrN2.ClH/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;1H
InChIKey
IUTCFFFBKPGSJF-UHFFFAOYSA-N
Synonyms
HO-1-IN-1 hydrochloride
Heme Oxygenase-1-IN-1 (hydrochloride)
1-[4-(4-bromophenyl)butyl]imidazole;hydrochloride
Heme Oxygenase-1-IN-1 hydrochloride
1-(4-(4-Bromophenyl)butyl)-1H-imidazole hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
76.56
TPSA
17.82
LogP / Solubility
WLOGP
4.09
MLOGP
3.61
XLogP3
4.09
Consensus LogP
3.93
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.71
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.74
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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