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CAS 68384-82-7 1H-Pyrrole-3-carboxylicacid,1-methyl-,ethylester(9CI) molecular structure lightbox
CAS RN: 68384-82-7

1H-Pyrrole-3-carboxylicacid,1-methyl-,ethylester(9CI)

  • Product code: SSC-178132
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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 68384-82-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

68384-82-7 / ethyl 1-methylpyrrole-3-carboxylate

Standard CAS: 68384-82-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
68384-82-7
Multi CAS
No
Molecular Formula
C8H11NO2
Molecular Weight
153.180000
Exact Mass
153.078979
InChI
InChI=1S/C8H11NO2/c1-3-11-8(10)7-4-5-9(2)6-7/h4-6H,3H2,1-2H3
InChIKey
JXPPCMXKWJXYGS-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
3
Molar refractivity
41.37
TPSA
31.23

LogP / Solubility

WLOGP
1.2
MLOGP
1.05
XLogP3
0.9
Consensus LogP
1.05
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-2.8

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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