CAS RN: 1186430-60-3
Antihistamine-1
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250719 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1186430-60-3
- Purity/Analytical Methods: >99.0%
1186430-60-3 / 1-[(4-fluorophenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]benzimidazole
Antihistamine-1 | CHEMBL556450 | Antihistamine-1?
Basic Information
CAS
1186430-60-3
Multi CAS
No
Molecular Formula
C23H24FN5
Molecular Weight
389.500000
Exact Mass
389.201574
SMILES
CC1=CN(N=C1)C2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F
InChI
InChI=1S/C23H24FN5/c1-17-14-25-29(15-17)20-10-12-27(13-11-20)23-26-21-4-2-3-5-22(21)28(23)16-18-6-8-19(24)9-7-18/h2-9,14-15,20H,10-13,16H2,1H3
InChIKey
YGQQBKYVKLZEMA-UHFFFAOYSA-N
Synonyms
Antihistamine-1
CHEMBL556450
Antihistamine-1?
orb1710415
SCHEMBL30452126
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
20
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
112.68
TPSA
38.88
LogP / Solubility
WLOGP
4.57
MLOGP
4.04
XLogP3
4.4
Consensus LogP
4.34
Log S (ESOL)
-5.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.46
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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