CAS RN: 119391-73-0
mAChR-IN-1 hydrochloride
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.20250819 | 2mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS119391-73-0
- Purity/Analytical Methods: >99.0%
119391-73-0 / 3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione;hydrochloride
mAChR-IN-1 hydrochloride | mAChR-IN-1 (hydrochloride) | 3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione;hydrochloride
Basic Information
CAS
119391-73-0
Multi CAS
No
Molecular Formula
C23H26ClIN2O2
Molecular Weight
524.800000
Exact Mass
524.072750
SMILES
C1CN(CCC1C2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=C(C=C4)I.Cl
InChI
InChI=1S/C23H25IN2O2.ClH/c24-20-8-6-17(7-9-20)16-26-14-11-19(12-15-26)23(18-4-2-1-3-5-18)13-10-21(27)25-22(23)28;/h1-9,19H,10-16H2,(H,25,27,28);1H
InChIKey
LZPQCDPVLUEOSL-UHFFFAOYSA-N
Synonyms
mAChR-IN-1 hydrochloride
mAChR-IN-1 (hydrochloride)
3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione;hydrochloride
C23H26ClIN2O2
orb1301614
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
124.91
TPSA
49.41
LogP / Solubility
WLOGP
4.3
MLOGP
3.82
XLogP3
4.3
Consensus LogP
4.14
Log S (ESOL)
-5.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.87
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
3.5
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