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CAS 1018950-15-6 1H-pyrrolo[3,2-b]pyridine-1-carboxylic acid 1,1-dimethylethyl ester molecular structure lightbox
CAS RN: 1018950-15-6

1H-pyrrolo[3,2-b]pyridine-1-carboxylic acid 1,1-dimethylethyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260519 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-002949
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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 1018950-15-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1018950-15-6 / tert-butyl pyrrolo[3,2-b]pyridine-1-carboxylate

tert-butyl 1H-pyrrolo[3,2-b]pyridine-1-carboxylate | tert-butyl pyrrolo[3,2-b]pyridine-1-carboxylate | MFCD24387134

Standard CAS: 1018950-15-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1018950-15-6
Multi CAS
No
Molecular Formula
C12H14N2O2
Molecular Weight
218.250000
Exact Mass
218.105528
SMILES
CC(C)(C)OC(=O)N1C=CC2=C1C=CC=N2
InChI
InChI=1S/C12H14N2O2/c1-12(2,3)16-11(15)14-8-6-9-10(14)5-4-7-13-9/h4-8H,1-3H3
InChIKey
AEOODQOVWXMMNU-UHFFFAOYSA-N
Synonyms
tert-butyl 1H-pyrrolo[3,2-b]pyridine-1-carboxylate tert-butyl pyrrolo[3,2-b]pyridine-1-carboxylate MFCD24387134 1H-pyrrolo[3,2-b]pyridine-1-carboxylic acid 1,1-dimethylethyl ester 1-Boc-4-azaindole

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
61.37
TPSA
44.12

LogP / Solubility

WLOGP
2.82
MLOGP
2.48
XLogP3
2.3
Consensus LogP
2.53
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
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)
-2.05

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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