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CAS 58457-37-7 1H-PYRROLO[3,2-H]QUINOLINE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 58457-37-7

1H-PYRROLO[3,2-H]QUINOLINE-2-CARBOXYLIC ACID

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251228 25mg / 100mg / 500mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260315 100mg In stock Shanghai Inquiry
Batchno.20250214 1g In stock Shanghai Inquiry
Batchno.20260406 250mg In stock Shanghai Inquiry
  • Product code: SSC-166683
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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 58457-37-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

58457-37-7 / 1H-pyrrolo[3,2-h]quinoline-2-carboxylic acid

Standard CAS: 58457-37-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
58457-37-7
Multi CAS
No
Molecular Formula
C12H8N2O2
Molecular Weight
212.200000
Exact Mass
212.058578
InChI
InChI=1S/C12H8N2O2/c15-12(16)9-6-8-4-3-7-2-1-5-13-10(7)11(8)14-9/h1-6,14H,(H,15,16)
InChIKey
NKRJTXAQMCUSEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
13
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.56
TPSA
65.98

LogP / Solubility

WLOGP
2.41
MLOGP
2.13
XLogP3
2.2
Consensus LogP
2.25
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
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)
-2.3

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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