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CAS 23699-62-9 Ethyl 5-Ethoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylate molecular structure lightbox
CAS RN: 23699-62-9

Ethyl 5-Ethoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylate

  • Product code: SSC-115278
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 23699-62-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry
10g >95% 4 In Stock Beijing Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Beijing Inquiry

23699-62-9 / ethyl 5-ethoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylate

Standard CAS: 23699-62-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23699-62-9
Multi CAS
No
Molecular Formula
C12H14N2O3
Molecular Weight
234.250000
Exact Mass
234.100442
SMILES
CCOC1=NC2=C(C=C1)NC(=C2)C(=O)OCC
InChI
InChI=1S/C12H14N2O3/c1-3-16-11-6-5-8-9(14-11)7-10(13-8)12(15)17-4-2/h5-7,13H,3-4H2,1-2H3
InChIKey
QHBMXBYQIXXILX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.22
TPSA
64.21

LogP / Solubility

WLOGP
2.14
MLOGP
1.89
XLogP3
2.3
Consensus LogP
2.11
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-2.63

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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