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CAS 871819-43-1 1H-Pyrrolo[3,2-c]pyridine-7-carboxylic acid, 4-chloro-1-Methyl-, Methyl ester molecular structure lightbox
CAS RN: 871819-43-1

1H-Pyrrolo[3,2-c]pyridine-7-carboxylic acid, 4-chloro-1-Methyl-, Methyl ester

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250903 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS871819-43-1
  • Purity/Analytical Methods: >99.0%
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871819-43-1 / methyl 4-chloro-1-methylpyrrolo[3,2-c]pyridine-7-carboxylate

Standard CAS: 871819-43-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
871819-43-1
Multi CAS
No
Molecular Formula
C10H9CLN2O2
Molecular Weight
224.640000
Exact Mass
224.035255
InChI
InChI=1S/C10H9ClN2O2/c1-13-4-3-6-8(13)7(10(14)15-2)5-12-9(6)11/h3-5H,1-2H3
InChIKey
UJJCPVCXNVAOAY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
57.06
TPSA
44.12

LogP / Solubility

WLOGP
2.01
MLOGP
1.77
XLogP3
1.7
Consensus LogP
1.83
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately 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)
-2.66

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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