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CAS 640735-27-9 1H-Pyrrolo[2,3-b]pyridine, 4-broMo-, 7-oxide molecular structure lightbox
CAS RN: 640735-27-9

1H-Pyrrolo[2,3-b]pyridine, 4-broMo-, 7-oxide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260701 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS640735-27-9
  • Purity/Analytical Methods: >99.0%
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640735-27-9 / 4-bromo-7-hydroxypyrrolo[2,3-b]pyridine

Standard CAS: 640735-27-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
640735-27-9
Multi CAS
No
Molecular Formula
BC7H5ORn2
Molecular Weight
213.030000
Exact Mass
211.958530
InChI
InChI=1S/C7H5BrN2O/c8-6-2-4-10(11)7-5(6)1-3-9-7/h1-4,11H
InChIKey
UUCNAKVODHYUMW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.73
TPSA
38.05

LogP / Solubility

WLOGP
1.99
MLOGP
1.75
XLogP3
1.8
Consensus LogP
1.85
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61

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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