CAS RN: 1171376-80-9
7-Chloro-2,8-dimethyl-4-hydrazinoquinoline hydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260226 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1171376-80-9
- Purity/Analytical Methods: >99.0%
1171376-80-9 / (7-chloro-2,8-dimethylquinolin-4-yl)hydrazine;hydrochloride
7-Chloro-2,8-dimethyl-4-hydrazinoquinoline hydrochloride | 7-CHLORO-4-HYDRAZINYL-2,8-DIMETHYLQUINOLINE HYDROCHLORIDE | DTXSID20589160
Basic Information
CAS
1171376-80-9
Multi CAS
No
Molecular Formula
C11H13Cl2N3
Molecular Weight
258.140000
Exact Mass
257.048653
SMILES
CC1=CC(=C2C=CC(=C(C2=N1)C)Cl)NN.Cl
InChI
InChI=1S/C11H12ClN3.ClH/c1-6-5-10(15-13)8-3-4-9(12)7(2)11(8)14-6;/h3-5H,13H2,1-2H3,(H,14,15);1H
InChIKey
OXXNXLJXPVSPCJ-UHFFFAOYSA-N
Synonyms
7-Chloro-2,8-dimethyl-4-hydrazinoquinoline hydrochloride
7-CHLORO-4-HYDRAZINYL-2,8-DIMETHYLQUINOLINE HYDROCHLORIDE
DTXSID20589160
MFCD09787851
AB52380
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
71.29
TPSA
50.94
LogP / Solubility
WLOGP
3.21
MLOGP
2.83
XLogP3
3.21
Consensus LogP
3.08
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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