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CAS 108290-89-7 Ethyl 2-Amino-1-methylpyrrole-3-carboxylate molecular structure lightbox
CAS RN: 108290-89-7

Ethyl 2-Amino-1-methylpyrrole-3-carboxylate

  • Product code: SSC-009612
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 108290-89-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

108290-89-7 / ethyl 2-amino-1-methylpyrrole-3-carboxylate

Ethyl 2-amino-1-methyl-1H-pyrrole-3-carboxylate | ethyl 2-amino-1-methylpyrrole-3-carboxylate | 2-Amino-1-methyl-1H-pyrrole-3-carboxylic acid ethyl ester

Standard CAS: 108290-89-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
108290-89-7
Multi CAS
No
Molecular Formula
C8H12N2O2
Molecular Weight
168.190000
Exact Mass
168.089878
SMILES
CCOC(=O)C1=C(N(C=C1)C)N
InChI
InChI=1S/C8H12N2O2/c1-3-12-8(11)6-4-5-10(2)7(6)9/h4-5H,3,9H2,1-2H3
InChIKey
JSMBOTSRHVTKMK-UHFFFAOYSA-N
Synonyms
Ethyl 2-amino-1-methyl-1H-pyrrole-3-carboxylate ethyl 2-amino-1-methylpyrrole-3-carboxylate 2-Amino-1-methyl-1H-pyrrole-3-carboxylic acid ethyl ester MFCD12196112 Ethyl2-Amino-1-methyl-1H-pyrrole-3-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.78
TPSA
57.25

LogP / Solubility

WLOGP
0.78
MLOGP
0.69
XLogP3
1.1
Consensus LogP
0.86
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
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)
-3.19

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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