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CAS 1000340-37-3 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 4-chloro- molecular structure lightbox
CAS RN: 1000340-37-3

1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 4-chloro-

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250404 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250215 100mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
Batchno.20250906 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250829 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250108 5g Out of stock Inquiry
  • Product code: SSC-000104
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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 1000340-37-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1000340-37-3 / 4-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

1000340-37-3 | 4-CHLORO-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID | DTXSID40646885

Standard CAS: 1000340-37-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1000340-37-3
Multi CAS
Yes
Molecular Formula
C8H5ClN2O2
Molecular Weight
196.590000
Exact Mass
196.003955
SMILES
C1=CN=C2C(=C1Cl)C(=CN2)C(=O)O
InChI
InChI=1S/C8H5ClN2O2/c9-5-1-2-10-7-6(5)4(3-11-7)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey
CFASASVVIOZGNK-UHFFFAOYSA-N
Synonyms
1000340-37-3 4-CHLORO-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID DTXSID40646885 4-Chloro-1H-pyrrolo(2,3-b)pyridine-3-carboxylic acid RefChem:291338

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.06
TPSA
65.98

LogP / Solubility

WLOGP
1.91
MLOGP
1.68
XLogP3
1.5
Consensus LogP
1.7
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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