CAS RN: 1135280-78-2
Altanserin hydrochloride
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250806 | 5mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1135280-78-2
- Purity/Analytical Methods: >99.0%
1135280-78-2 / 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one;hydrochloride
altanserin hydrochloride | UNII-XUL9717F5K | XUL9717F5K
Basic Information
CAS
1135280-78-2
Multi CAS
No
Molecular Formula
C22H23ClFN3O2S
Molecular Weight
448.000000
Exact Mass
447.118354
SMILES
C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=S.Cl
InChI
InChI=1S/C22H22FN3O2S.ClH/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29;/h1-8,16H,9-14H2,(H,24,29);1H
InChIKey
JFPPLMAMMZZOEA-UHFFFAOYSA-N
Synonyms
altanserin hydrochloride
UNII-XUL9717F5K
XUL9717F5K
4(1H)-Quinazolinone, 3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-2,3-dihydro-2-thioxo-, hydrochloride (1:1)
DTXSID9042592
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
16
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
120.54
TPSA
58.1
LogP / Solubility
WLOGP
4.21
MLOGP
3.74
XLogP3
4.21
Consensus LogP
4.05
Log S (ESOL)
-5.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.67
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)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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