CAS RN: 1422144-42-0
AR-13324 (mesylate)
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250705 | 5mg / 25mg / 50mg / 100mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260414 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260417 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250203 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260411 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260405 | 50mg | In stock | Shanghai, Tianjin | Inquiry |
- Product code: starshine_CAS1422144-42-0
- Purity/Analytical Methods: >99.0%
1422144-42-0 / [4-[(2S)-3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl]methyl 2,4-dimethylbenzoate;methanesulfonic acid
Basic Information
CAS
1422144-42-0
Multi CAS
No
Molecular Formula
C30H35N3O9S2
Molecular Weight
645.700000
Exact Mass
645.181472
SMILES
CC1=CC(=C(C=C1)C(=O)OCC2=CC=C(C=C2)[C@@H](CN)C(=O)NC3=CC4=C(C=C3)C=NC=C4)C.CS(=O)(=O)O.CS(=O)(=O)O
InChI
InChI=1S/C28H27N3O3.2CH4O3S/c1-18-3-10-25(19(2)13-18)28(33)34-17-20-4-6-21(7-5-20)26(15-29)27(32)31-24-9-8-23-16-30-12-11-22(23)14-24;2*1-5(2,3)4/h3-14,16,26H,15,17,29H2,1-2H3,(H,31,32);2*1H3,(H,2,3,4)/t26-;;/m1../s1
InChIKey
QQDRLKRHJOAQDC-FBHGDYMESA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
22
Fraction Csp3
0.23
Rotatable bonds
7
H-bond acceptors
9
H-bond donors
4
Molar refractivity
168.59
TPSA
203.05
LogP / Solubility
WLOGP
3.9
MLOGP
3.48
XLogP3
3.9
Consensus LogP
3.76
Log S (ESOL)
-6.21
Class (ESOL)
Insoluble
Log S (Ali)
-7.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.93
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501
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