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CAS 1198416-38-4 Methyl 1-Methyl-1H-pyrrolo[2,3-b]pyridin-2-carboxylate molecular structure lightbox
CAS RN: 1198416-38-4

Methyl 1-Methyl-1H-pyrrolo[2,3-b]pyridin-2-carboxylate

  • Product code: SSC-020629
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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: 1g
  • 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 1198416-38-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1198416-38-4 / methyl 1-methylpyrrolo[2,3-b]pyridine-2-carboxylate

Methyl 1-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate | methyl 1-methylpyrrolo[2,3-b]pyridine-2-carboxylate | Methyl 1-Methyl-1H-pyrrolo[2,3-b]pyridin-2-carboxylate

Standard CAS: 1198416-38-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1198416-38-4
Multi CAS
No
Molecular Formula
C10H10N2O2
Molecular Weight
190.200000
Exact Mass
190.074228
SMILES
CN1C(=CC2=C1N=CC=C2)C(=O)OC
InChI
InChI=1S/C10H10N2O2/c1-12-8(10(13)14-2)6-7-4-3-5-11-9(7)12/h3-6H,1-2H3
InChIKey
YHZKMMZEVYGRQA-UHFFFAOYSA-N
Synonyms
Methyl 1-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate methyl 1-methylpyrrolo[2,3-b]pyridine-2-carboxylate Methyl 1-Methyl-1H-pyrrolo[2,3-b]pyridin-2-carboxylate MFCD14525459 SCHEMBL1423541

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
52.05
TPSA
44.12

LogP / Solubility

WLOGP
1.36
MLOGP
1.2
XLogP3
1.5
Consensus LogP
1.35
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
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)
-2.91

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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