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CAS 936-12-9 2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 936-12-9

2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER

  • Product code: SSC-207892
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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: 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: >98%
  • Inventory rows with stock: 3
  • 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 936-12-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Beijing Inquiry
5g >98% 3 In Stock Hong Kong Inquiry
10g >98% 1 In Stock Shenzhen Inquiry
25g >98% 0 Out of Stock Beijing Inquiry
100g >98% 0 Out of Stock Beijing Inquiry
500g >98% 0 Out of Stock Shanghai Inquiry

936-12-9 / ethyl 2-methyl-1H-pyrrole-3-carboxylate

Standard CAS: 936-12-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
936-12-9
Multi CAS
Yes
Molecular Formula
C8H11NO2
Molecular Weight
153.180000
Exact Mass
153.078979
InChI
InChI=1S/C8H11NO2/c1-3-11-8(10)7-4-5-9-6(7)2/h4-5,9H,3H2,1-2H3
InChIKey
DJDPDVJJTIGJTE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.49
TPSA
42.09

LogP / Solubility

WLOGP
1.5
MLOGP
1.31
XLogP3
1.3
Consensus LogP
1.37
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately 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)
-2.59

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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