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CAS 1209093-48-0 Methyl 6-broMo-5-Methylpicolinate molecular structure lightbox
CAS RN: 1209093-48-0

Methyl 6-broMo-5-Methylpicolinate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250307 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-022227
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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: 0.1g
  • 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 1209093-48-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Shenzhen Inquiry

1209093-48-0 / methyl 6-bromo-5-methylpyridine-2-carboxylate

Methyl 6-bromo-5-methylpicolinate | methyl 6-bromo-5-methylpyridine-2-carboxylate | MFCD18382716

Standard CAS: 1209093-48-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1209093-48-0
Multi CAS
No
Molecular Formula
C8H8BrNO2
Molecular Weight
230.060000
Exact Mass
228.973840
SMILES
CC1=C(N=C(C=C1)C(=O)OC)Br
InChI
InChI=1S/C8H8BrNO2/c1-5-3-4-6(8(11)12-2)10-7(5)9/h3-4H,1-2H3
InChIKey
XIMJHTDWAZXRRR-UHFFFAOYSA-N
Synonyms
Methyl 6-bromo-5-methylpicolinate methyl 6-bromo-5-methylpyridine-2-carboxylate MFCD18382716 Methyl6-bromo-5-methylpicolinate SCHEMBL18367820

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
48.01
TPSA
39.19

LogP / Solubility

WLOGP
1.94
MLOGP
1.71
XLogP3
2.4
Consensus LogP
2.02
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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