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CAS 1150617-80-3 5-Bromo-3-methoxy-2-methylpyridine molecular structure lightbox
CAS RN: 1150617-80-3

5-Bromo-3-methoxy-2-methylpyridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250718 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-014785
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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 1150617-80-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1150617-80-3 / 5-bromo-3-methoxy-2-methylpyridine

5-Bromo-3-methoxy-2-methylpyridine | DTXSID80653932 | RefChem:533546

Standard CAS: 1150617-80-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1150617-80-3
Multi CAS
No
Molecular Formula
C7H8BrNO
Molecular Weight
202.050000
Exact Mass
200.978930
SMILES
CC1=C(C=C(C=N1)Br)OC
InChI
InChI=1S/C7H8BrNO/c1-5-7(10-2)3-6(8)4-9-5/h3-4H,1-2H3
InChIKey
FAWLCNSUYFGYMF-UHFFFAOYSA-N
Synonyms
5-Bromo-3-methoxy-2-methylpyridine DTXSID80653932 RefChem:533546 DTXCID40604682 995-361-2

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
43.23
TPSA
22.12

LogP / Solubility

WLOGP
2.16
MLOGP
1.9
XLogP3
1.9
Consensus LogP
1.99
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.42

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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