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CAS 945-32-4 1H-Pyrrole-2,3,5-tricarboxylic acid molecular structure lightbox
CAS RN: 945-32-4

1H-Pyrrole-2,3,5-tricarboxylic acid

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250413 100mg In stock Wuhan, Chengdu Inquiry
Batchno.20250402 250mg In stock Shenzhen, Chengdu Inquiry
Batchno.20250817 50mg In stock Wuhan, Chengdu Inquiry
  • Product code: SSC-209554
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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 945-32-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

945-32-4 / 1H-pyrrole-2,3,5-tricarboxylic acid

Standard CAS: 945-32-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
945-32-4
Multi CAS
No
Molecular Formula
C7H5NO6
Molecular Weight
199.120000
Exact Mass
199.011687
InChI
InChI=1S/C7H5NO6/c9-5(10)2-1-3(6(11)12)8-4(2)7(13)14/h1,8H,(H,9,10)(H,11,12)(H,13,14)
InChIKey
UGSAVTSXHXRENH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
4
Molar refractivity
41.67
TPSA
127.69

LogP / Solubility

WLOGP
0.11
MLOGP
0.1
Consensus LogP
0.07
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.86

Drug-likeness / Medicinal Chemistry

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

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