CAS RN: 120615-25-0
CKI-7
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.20250420 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS120615-25-0
- Purity/Analytical Methods: >99.0%
120615-25-0 / N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide
N-(2-Aminoethyl)-5-chloroisoquinoline-8-sulfonamide | DTXSID20152934 | 8-Isoquinolinesulfonamide, N-(2-aminoethyl)-5-chloro-
Basic Information
CAS
120615-25-0
Multi CAS
No
Molecular Formula
C11H12ClN3O2S
Molecular Weight
285.750000
Exact Mass
285.033876
SMILES
C1=CC(=C2C=CN=CC2=C1S(=O)(=O)NCCN)Cl
InChI
InChI=1S/C11H12ClN3O2S/c12-10-1-2-11(18(16,17)15-6-4-13)9-7-14-5-3-8(9)10/h1-3,5,7,15H,4,6,13H2
InChIKey
OGKYMFFYOWUTKV-UHFFFAOYSA-N
Synonyms
N-(2-Aminoethyl)-5-chloroisoquinoline-8-sulfonamide
DTXSID20152934
8-Isoquinolinesulfonamide, N-(2-aminoethyl)-5-chloro-
3IE84W82O5
CHEBI:47322
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
71
TPSA
85.08
LogP / Solubility
WLOGP
1.13
MLOGP
1
XLogP3
0.8
Consensus LogP
0.98
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]
H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501
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