CAS RN: 1313883-00-9
ARQ 092
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.20260506 | 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1313883-00-9
- Purity/Analytical Methods: >99.0%
1313883-00-9 / 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride
Basic Information
CAS
1313883-00-9
Multi CAS
No
Molecular Formula
C27H25ClN6
Molecular Weight
469.000000
Exact Mass
468.182923
SMILES
C1CC(C1)(C2=CC=C(C=C2)N3C4=C(C=CC(=N4)C5=CC=CC=C5)N=C3C6=C(N=CC=C6)N)N.Cl
InChI
InChI=1S/C27H24N6.ClH/c28-24-21(8-4-17-30-24)25-32-23-14-13-22(18-6-2-1-3-7-18)31-26(23)33(25)20-11-9-19(10-12-20)27(29)15-5-16-27;/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30);1H
InChIKey
DRHSWSSVIKDJME-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
27
Fraction Csp3
0.15
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
138.91
TPSA
95.64
LogP / Solubility
WLOGP
5.49
MLOGP
4.86
XLogP3
5.49
Consensus LogP
5.28
Log S (ESOL)
-6.53
Class (ESOL)
Insoluble
Log S (Ali)
-7.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.75
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 1314080-83-5 N-[(9R)-6′-Methoxycinchonan-9-yl]-N’-[[(1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-1,4a-diMethyl-7-(1-Methylethyl)-1-phenanthrenyl]Methyl]-Thiourea molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1314080-83-5.gif)
