CAS RN: 930790-40-2
7-CHLORO-5-METHOXY-6-AZAINDOLE
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS930790-40-2
- Purity/Analytical Methods: >99.0%
930790-40-2 / 7-chloro-5-methoxy-1H-pyrrolo[2,3-c]pyridine
Basic Information
CAS
930790-40-2
Multi CAS
No
Molecular Formula
C8H7CLN2O
Molecular Weight
182.610000
Exact Mass
182.024691
InChI
InChI=1S/C8H7ClN2O/c1-12-6-4-5-2-3-10-7(5)8(9)11-6/h2-4,10H,1H3
InChIKey
BFDLYXBWYQGPMS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.66
TPSA
37.91
LogP / Solubility
WLOGP
2.22
MLOGP
1.96
XLogP3
2.2
Consensus LogP
2.13
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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