CAS RN: 1097839-70-7
5-Methoxy-2-methyl-6-azaindole
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS1097839-70-7
- Purity/Analytical Methods: >99.0%
1097839-70-7 / 5-methoxy-2-methyl-1H-pyrrolo[2,3-c]pyridine
5-METHOXY-2-METHYL-1H-PYRROLO[2,3-C]PYRIDINE | 5-Methoxy-2-methyl-1H-pyrrolo(2,3-c)pyridine | RefChem:536650
Basic Information
CAS
1097839-70-7
Multi CAS
No
Molecular Formula
C9H10N2O
Molecular Weight
162.190000
Exact Mass
162.079313
SMILES
CC1=CC2=CC(=NC=C2N1)OC
InChI
InChI=1S/C9H10N2O/c1-6-3-7-4-9(12-2)10-5-8(7)11-6/h3-5,11H,1-2H3
InChIKey
ULQSXFDNFIPXLS-UHFFFAOYSA-N
Synonyms
5-METHOXY-2-METHYL-1H-PYRROLO[2,3-C]PYRIDINE
5-Methoxy-2-methyl-1H-pyrrolo(2,3-c)pyridine
RefChem:536650
898-684-6
5-Methoxy-2-methyl-6-azaindole
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.38
TPSA
37.91
LogP / Solubility
WLOGP
1.88
MLOGP
1.65
XLogP3
1.7
Consensus LogP
1.74
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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![CAS 1097917-15-1 N2-[2-Methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-1,3,5-triazine-2,4-diamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1097917-15-1.gif)
