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CAS 1000341-09-2 3-BROMO-5-METHOXY-4-AZAINDOLE molecular structure lightbox
CAS RN: 1000341-09-2

3-BROMO-5-METHOXY-4-AZAINDOLE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260518 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1000341-09-2
  • Purity/Analytical Methods: >99.0%
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1000341-09-2 / 3-bromo-5-methoxy-1H-pyrrolo[3,2-b]pyridine

3-Bromo-5-methoxy-1H-pyrrolo[3,2-b]pyridine | 1000341-09-2 | 3-Bromo-5-methoxy-4-azaindole

Standard CAS: 1000341-09-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1000341-09-2
Multi CAS
No
Molecular Formula
C8H7BrN2O
Molecular Weight
227.060000
Exact Mass
225.974180
SMILES
COC1=NC2=C(C=C1)NC=C2Br
InChI
InChI=1S/C8H7BrN2O/c1-12-7-3-2-6-8(11-7)5(9)4-10-6/h2-4,10H,1H3
InChIKey
HSUOJZLKCIEBLJ-UHFFFAOYSA-N
Synonyms
3-Bromo-5-methoxy-1H-pyrrolo[3,2-b]pyridine 1000341-09-2 3-Bromo-5-methoxy-4-azaindole MFCD09263206 1H-Pyrrolo[3,2-b]pyridine, 3-bromo-5-methoxy-

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
2.1
Consensus LogP
2.16
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
Leadlikeness
No
Synthetic Accessibility
1.5

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