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CAS 871583-21-0 methyl 6-chloro-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxylate molecular structure lightbox
CAS RN: 871583-21-0

methyl 6-chloro-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxylate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250915 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS871583-21-0
  • Purity/Analytical Methods: >99.0%
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871583-21-0 / methyl 6-chloro-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxylate

Standard CAS: 871583-21-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
871583-21-0
Multi CAS
Yes
Molecular Formula
C10H9CLN2O3
Molecular Weight
240.640000
Exact Mass
240.030170
InChI
InChI=1S/C10H9ClN2O3/c1-15-9-5-3-7(10(14)16-2)12-6(5)4-8(11)13-9/h3-4,12H,1-2H3
InChIKey
OUFHVWNPQDQNCK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59
TPSA
64.21

LogP / Solubility

WLOGP
2.01
MLOGP
1.77
XLogP3
2.4
Consensus LogP
2.06
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
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)
-2.76

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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