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CAS 1190321-49-3 5-Chloro-7-azaindole-3-carboxylic acid Methyl ester molecular structure lightbox
CAS RN: 1190321-49-3

5-Chloro-7-azaindole-3-carboxylic acid Methyl ester

  • Product code: SSC-019439
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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: ＞97%
  • 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 1190321-49-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1190321-49-3 / methyl 5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylate

Methyl 5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylate | MFCD12963479 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-chloro-, methyl ester

Standard CAS: 1190321-49-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190321-49-3
Multi CAS
No
Molecular Formula
C9H7ClN2O2
Molecular Weight
210.620000
Exact Mass
210.019605
SMILES
COC(=O)C1=CNC2=C1C=C(C=N2)Cl
InChI
InChI=1S/C9H7ClN2O2/c1-14-9(13)7-4-12-8-6(7)2-5(10)3-11-8/h2-4H,1H3,(H,11,12)
InChIKey
JDGXCXNGYUXAOY-UHFFFAOYSA-N
Synonyms
Methyl 5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylate MFCD12963479 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-chloro-, methyl ester Methyl 5-chloro-1H-pyrrolo[2 pound not3-b]pyridine-3-carboxylate METHYL 5-CHLORO-7-AZAINDOLE-3-CARBOXYLATE

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.44
TPSA
54.98

LogP / Solubility

WLOGP
2
MLOGP
1.76
XLogP3
1.8
Consensus LogP
1.85
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-2.58

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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