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CAS 1227601-84-4 (3-Bromo-6-fluoro-pyridin-2-yl)-methanol molecular structure lightbox
CAS RN: 1227601-84-4

(3-Bromo-6-fluoro-pyridin-2-yl)-methanol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251005 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-026192
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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, 10g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 1227601-84-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 3 In Stock Shenzhen Inquiry
0.25g >97% 3 In Stock Shenzhen Inquiry
1g >97% 3 In Stock Hong Kong Inquiry
10g >97% 2 In Stock Hong Kong Inquiry
5g >97% 1 In Stock Beijing Inquiry

1227601-84-4 / (3-bromo-6-fluoro-2-pyridinyl)methanol

Standard CAS: 1227601-84-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1227601-84-4
Multi CAS
No
Molecular Formula
C6H5BrFNO
Molecular Weight
206.010000
Exact Mass
204.953850
SMILES
C1=CC(=NC(=C1Br)CO)F
InChI
InChI=1S/C6H5BrFNO/c7-4-1-2-6(8)9-5(4)3-10/h1-2,10H,3H2
InChIKey
JUARSXWHXUHGHN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.82
TPSA
33.12

LogP / Solubility

WLOGP
1.48
MLOGP
1.3
XLogP3
1.1
Consensus LogP
1.29
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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
Brenk alerts
1
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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