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CAS 1196-07-2 Methyl 5-broMo-1-Methyl-1H-pyrrole-2-carboxylate molecular structure lightbox
CAS RN: 1196-07-2

Methyl 5-broMo-1-Methyl-1H-pyrrole-2-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250820 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-020138
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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: 1g
  • Available purity: ＞97%
  • 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 1196-07-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1196-07-2 / methyl 5-bromo-1-methylpyrrole-2-carboxylate

Methyl 5-bromo-1-methyl-1H-pyrrole-2-carboxylate | methyl 5-bromo-1-methylpyrrole-2-carboxylate | MFCD19703858

Standard CAS: 1196-07-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1196-07-2
Multi CAS
No
Molecular Formula
C7H8BrNO2
Molecular Weight
218.050000
Exact Mass
216.973840
SMILES
CN1C(=CC=C1Br)C(=O)OC
InChI
InChI=1S/C7H8BrNO2/c1-9-5(7(10)11-2)3-4-6(9)8/h3-4H,1-2H3
InChIKey
NMJMIZMIPRJDDV-UHFFFAOYSA-N
Synonyms
Methyl 5-bromo-1-methyl-1H-pyrrole-2-carboxylate methyl 5-bromo-1-methylpyrrole-2-carboxylate MFCD19703858 1H-Pyrrole-2-carboxylic acid, 5-bromo-1-methyl-, methyl ester methyl 5-bromo-1-methyl-pyrrole-2-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
44.45
TPSA
31.23

LogP / Solubility

WLOGP
1.57
MLOGP
1.39
XLogP3
1.9
Consensus LogP
1.62
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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)
-2.93

Drug-likeness / Medicinal Chemistry

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

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