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CAS 1196151-72-0 ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate molecular structure lightbox
CAS RN: 1196151-72-0

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

  • Product code: SSC-020195
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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 1196151-72-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

1196151-72-0 / ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

Ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate | MFCD13189628 | ETHYL 4-CHLORO-7-AZAINDOLE-2-CARBOXYLATE

Standard CAS: 1196151-72-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1196151-72-0
Multi CAS
No
Molecular Formula
C10H9ClN2O2
Molecular Weight
224.640000
Exact Mass
224.035255
SMILES
CCOC(=O)C1=CC2=C(C=CN=C2N1)Cl
InChI
InChI=1S/C10H9ClN2O2/c1-2-15-10(14)8-5-6-7(11)3-4-12-9(6)13-8/h3-5H,2H2,1H3,(H,12,13)
InChIKey
VIQFVDJCEMGLQQ-UHFFFAOYSA-N
Synonyms
Ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate MFCD13189628 ETHYL 4-CHLORO-7-AZAINDOLE-2-CARBOXYLATE 1h-pyrrolo[2,3-b]pyridine-2-carboxylic acid, 4-chloro-, ethyl ester 4-chloro-1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid ethyl ester

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.06
TPSA
54.98

LogP / Solubility

WLOGP
2.39
MLOGP
2.11
XLogP3
2.5
Consensus LogP
2.33
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-2.39

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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