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CAS 67451-42-7 (2-FORMYL-1H-PYRROL-1-YL)ACETIC ACID molecular structure lightbox
CAS RN: 67451-42-7

(2-FORMYL-1H-PYRROL-1-YL)ACETIC ACID

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250226 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-177135
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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: 5g
  • 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 67451-42-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

67451-42-7 / 2-(2-formylpyrrol-1-yl)acetic acid

Standard CAS: 67451-42-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67451-42-7
Multi CAS
No
Molecular Formula
C7H7NO3
Molecular Weight
153.140000
Exact Mass
153.042593
InChI
InChI=1S/C7H7NO3/c9-5-6-2-1-3-8(6)4-7(10)11/h1-3,5H,4H2,(H,10,11)
InChIKey
VQNKRZLHJSBDGY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.46
TPSA
59.3

LogP / Solubility

WLOGP
0.39
MLOGP
0.33
XLogP3
0.2
Consensus LogP
0.31
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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