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CAS 1140512-58-8 Methyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate molecular structure lightbox
CAS RN: 1140512-58-8

Methyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250129 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-013944
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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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 1140512-58-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

1140512-58-8 / methyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

Methyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate | METHYL 6-CHLORO-7-AZAINDOLE-2-CARBOXYLATE | MFCD12025931

Standard CAS: 1140512-58-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1140512-58-8
Multi CAS
No
Molecular Formula
C9H7ClN2O2
Molecular Weight
210.620000
Exact Mass
210.019605
SMILES
COC(=O)C1=CC2=C(N1)N=C(C=C2)Cl
InChI
InChI=1S/C9H7ClN2O2/c1-14-9(13)6-4-5-2-3-7(10)12-8(5)11-6/h2-4H,1H3,(H,11,12)
InChIKey
ZJVSMPDCALHZOG-UHFFFAOYSA-N
Synonyms
Methyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate METHYL 6-CHLORO-7-AZAINDOLE-2-CARBOXYLATE MFCD12025931 1H-PYRROLO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID, 6-CHLORO-, METHYL ESTER Methyl6-chloro-1H-pyrrolo[2,3-b]pyridine-2-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
2.5
Consensus LogP
2.09
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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