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CAS 122181-85-5 1H-Pyrrole-2-carboxylicacid,1-amino-,methylester(9CI) molecular structure lightbox
CAS RN: 122181-85-5

1H-Pyrrole-2-carboxylicacid,1-amino-,methylester(9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250825 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-025176
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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 122181-85-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

122181-85-5 / methyl 1-aminopyrrole-2-carboxylate

Standard CAS: 122181-85-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
122181-85-5
Multi CAS
No
Molecular Formula
C6H8N2O2
Molecular Weight
140.140000
Exact Mass
140.058578
SMILES
COC(=O)C1=CC=CN1N
InChI
InChI=1S/C6H8N2O2/c1-10-6(9)5-3-2-4-8(5)7/h2-4H,7H2,1H3
InChIKey
OGSXCPFDMJGEDQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
35.92
TPSA
57.25

LogP / Solubility

WLOGP
-0.01
MLOGP
-0.02
XLogP3
1.2
Consensus LogP
0.39
Log S (ESOL)
-1.01
Class (ESOL)
Soluble
Log S (Ali)
-0.7
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.68
Class (SILICOS-IT)
Very 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)
-3.58

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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