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CAS 1132610-84-4 ethyl 5-Methyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate molecular structure lightbox
CAS RN: 1132610-84-4

ethyl 5-Methyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate

  • Product code: SSC-013411
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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 1132610-84-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1132610-84-4 / ethyl 5-methyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate

ETHYL 5-METHYL-1H-PYRROLO[3,2-B]PYRIDINE-2-CARBOXYLATE | 5-METHYL-4-AZAINDOLE-2-CARBOXYLIC ACID ETHYL ESTER | MFCD17214397

Standard CAS: 1132610-84-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1132610-84-4
Multi CAS
No
Molecular Formula
C11H12N2O2
Molecular Weight
204.220000
Exact Mass
204.089878
SMILES
CCOC(=O)C1=CC2=C(N1)C=CC(=N2)C
InChI
InChI=1S/C11H12N2O2/c1-3-15-11(14)10-6-9-8(13-10)5-4-7(2)12-9/h4-6,13H,3H2,1-2H3
InChIKey
DUSJLJWAHJVCEC-UHFFFAOYSA-N
Synonyms
ETHYL 5-METHYL-1H-PYRROLO[3,2-B]PYRIDINE-2-CARBOXYLATE 5-METHYL-4-AZAINDOLE-2-CARBOXYLIC ACID ETHYL ESTER MFCD17214397 SCHEMBL3707866 DUSJLJWAHJVCEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.79
TPSA
54.98

LogP / Solubility

WLOGP
2.05
MLOGP
1.8
XLogP3
2
Consensus LogP
1.95
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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)
-2.51

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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