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CAS 1196-90-3 METHYL 4-BROMO-1-METHYL-1H-PYRROLE-2-CARBOXYLATE molecular structure lightbox
CAS RN: 1196-90-3

METHYL 4-BROMO-1-METHYL-1H-PYRROLE-2-CARBOXYLATE

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250513 100mg In stock Shenzhen, Tianjin Inquiry
Batchno.20251110 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250331 250mg In stock Shanghai Inquiry
Batchno.20250402 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20260113 5g Out of stock Inquiry
  • Product code: SSC-020148
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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, 5g, 10g, 25g
  • Available purity: ≥98%
  • 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 1196-90-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 2 In Stock Beijing Inquiry
0.25g ≥98% 2 In Stock Shenzhen Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry

1196-90-3 / methyl 4-bromo-1-methylpyrrole-2-carboxylate

METHYL 4-BROMO-1-METHYL-1H-PYRROLE-2-CARBOXYLATE | DTXSID70465440 | RefChem:355598

Standard CAS: 1196-90-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1196-90-3
Multi CAS
Yes
Molecular Formula
C7H8BrNO2
Molecular Weight
218.050000
Exact Mass
216.973840
SMILES
CN1C=C(C=C1C(=O)OC)Br
InChI
InChI=1S/C7H8BrNO2/c1-9-4-5(8)3-6(9)7(10)11-2/h3-4H,1-2H3
InChIKey
XYZFZMSLKMPMGW-UHFFFAOYSA-N
Synonyms
METHYL 4-BROMO-1-METHYL-1H-PYRROLE-2-CARBOXYLATE DTXSID70465440 RefChem:355598 DTXCID10416259 814-587-3

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
1.5
Consensus LogP
1.49
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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (50%): 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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