![CAS 619331-35-0 1H-Pyrrolo[2,3-c]pyridine, 7-broMo-4-Methoxy- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/619331-35-0.gif)
CAS RN: 619331-35-0
1H-Pyrrolo[2,3-c]pyridine, 7-broMo-4-Methoxy-
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS619331-35-0
- Purity/Analytical Methods: >99.0%
619331-35-0 / 7-bromo-4-methoxy-1H-pyrrolo[2,3-c]pyridine
Basic Information
CAS
619331-35-0
Multi CAS
No
Molecular Formula
BC8H7ORn2
Molecular Weight
227.060000
Exact Mass
225.974180
InChI
InChI=1S/C8H7BrN2O/c1-12-6-4-11-8(9)7-5(6)2-3-10-7/h2-4,10H,1H3
InChIKey
SSEKUWDRHZZSFH-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
50.35
TPSA
37.91
LogP / Solubility
WLOGP
2.33
MLOGP
2.06
XLogP3
2
Consensus LogP
2.13
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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