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CAS 108290-86-4 ETHYL 2-AMINO-1H-PYRROLE-3-CARBOXYLATE molecular structure lightbox
CAS RN: 108290-86-4

ETHYL 2-AMINO-1H-PYRROLE-3-CARBOXYLATE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250921 100mg In stock Inquiry
Batchno.20260217 1g In stock Inquiry
Batchno.20250723 250mg In stock Inquiry
  • Product code: SSC-009611
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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: 0.1g, 0.25g, 1g, 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 108290-86-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

108290-86-4 / ethyl 2-amino-1H-pyrrole-3-carboxylate

ETHYL 2-AMINO-1H-PYRROLE-3-CARBOXYLATE | DTXSID30477766 | RefChem:342583

Standard CAS: 108290-86-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
108290-86-4
Multi CAS
No
Molecular Formula
C7H10N2O2
Molecular Weight
154.170000
Exact Mass
154.074228
SMILES
CCOC(=O)C1=C(NC=C1)N
InChI
InChI=1S/C7H10N2O2/c1-2-11-7(10)5-3-4-9-6(5)8/h3-4,9H,2,8H2,1H3
InChIKey
XKJUSNOUOLSNJN-UHFFFAOYSA-N
Synonyms
ETHYL 2-AMINO-1H-PYRROLE-3-CARBOXYLATE DTXSID30477766 RefChem:342583 DTXCID30428576 820-195-3

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.16
TPSA
68.11

LogP / Solubility

WLOGP
0.77
MLOGP
0.68
XLogP3
1.1
Consensus LogP
0.85
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
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)
-3.11

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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