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CAS 1638771-45-5 methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate molecular structure lightbox
CAS RN: 1638771-45-5

methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate

  • Product code: SSC-071460
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1638771-45-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1638771-45-5 / methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate

Standard CAS: 1638771-45-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1638771-45-5
Multi CAS
No
Molecular Formula
C10H10N2O2
Molecular Weight
190.200000
Exact Mass
190.074228
SMILES
CC1=CNC2=NC=CC(=C12)C(=O)OC
InChI
InChI=1S/C10H10N2O2/c1-6-5-12-9-8(6)7(3-4-11-9)10(13)14-2/h3-5H,1-2H3,(H,11,12)
InChIKey
SYOQVAIFYBSUHY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.17
TPSA
54.98

LogP / Solubility

WLOGP
1.66
MLOGP
1.46
XLogP3
1.5
Consensus LogP
1.54
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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