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CAS 1208361-39-0 Methyl 4-broMo-1-aMinopyrrole-2-carboxylate hydrochloride molecular structure lightbox
CAS RN: 1208361-39-0

Methyl 4-broMo-1-aMinopyrrole-2-carboxylate hydrochloride

Product Availability

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250501 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260125 100mg In stock Shanghai Inquiry
Batchno.20250616 10g In stock Shanghai Inquiry
Batchno.20250305 1g In stock Shanghai Inquiry
Batchno.20250512 250mg In stock Shanghai Inquiry
Batchno.20251116 5g In stock Shanghai Inquiry
  • Product code: SSC-022187
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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: ≥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 1208361-39-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1208361-39-0 / methyl 1-amino-4-bromopyrrole-2-carboxylate

Methyl 1-amino-4-bromo-1H-pyrrole-2-carboxylate | methyl 1-amino-4-bromopyrrole-2-carboxylate | MFCD13193220

Standard CAS: 1208361-39-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1208361-39-0
Multi CAS
Yes
Molecular Formula
C6H7BrN2O2
Molecular Weight
219.040000
Exact Mass
217.969090
SMILES
COC(=O)C1=CC(=CN1N)Br
InChI
InChI=1S/C6H7BrN2O2/c1-11-6(10)5-2-4(7)3-9(5)8/h2-3H,8H2,1H3
InChIKey
ACXDDRPCBGQPBV-UHFFFAOYSA-N
Synonyms
Methyl 1-amino-4-bromo-1H-pyrrole-2-carboxylate methyl 1-amino-4-bromopyrrole-2-carboxylate MFCD13193220 1-amino-4-bromo-1H-pyrrole-2-carboxylic acid methyl ester methyl 4-bromo-1-aminopyrrole-2-carboxylate hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.62
TPSA
57.25

LogP / Solubility

WLOGP
0.75
MLOGP
0.66
XLogP3
1.8
Consensus LogP
1.07
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
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)
-3.52

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 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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