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CAS 202409-05-0 3-(5-(methoxycarbonyl)-1H-pyrrol-3-yl)propanoic acid molecular structure lightbox
CAS RN: 202409-05-0

3-(5-(methoxycarbonyl)-1H-pyrrol-3-yl)propanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250415 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-095350
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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: 0.25g
  • 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 202409-05-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

202409-05-0 / 3-(5-methoxycarbonyl-1H-pyrrol-3-yl)propanoic acid

Standard CAS: 202409-05-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
202409-05-0
Multi CAS
No
Molecular Formula
C9H11NO4
Molecular Weight
197.190000
Exact Mass
197.068808
SMILES
COC(=O)C1=CC(=CN1)CCC(=O)O
InChI
InChI=1S/C9H11NO4/c1-14-9(13)7-4-6(5-10-7)2-3-8(11)12/h4-5,10H,2-3H2,1H3,(H,11,12)
InChIKey
NRAXHFZSYRDAOI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.09
TPSA
79.39

LogP / Solubility

WLOGP
0.82
MLOGP
0.72
XLogP3
0.7
Consensus LogP
0.75
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.1
Class (SILICOS-IT)
Moderately 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)
-3.34

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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