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CAS 120491-88-5 4-Bromopyridine-2,6-dimethanol molecular structure lightbox
CAS RN: 120491-88-5

4-Bromopyridine-2,6-dimethanol

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250615 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250813 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250421 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250107 5g In stock Shenzhen Inquiry
  • Product code: SSC-021517
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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
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 120491-88-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
1g >97% 1 In Stock Shanghai Inquiry
5g >97% 1 In Stock Shenzhen Inquiry

120491-88-5 / [4-bromo-6-(hydroxymethyl)-2-pyridinyl]methanol

(4-bromopyridine-2,6-diyl)dimethanol | 4-BROMOPYRIDINE-2,6-DIMETHANOL | [4-bromo-6-(hydroxymethyl)pyridin-2-yl]methanol

Standard CAS: 120491-88-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
120491-88-5
Multi CAS
No
Molecular Formula
C7H8BrNO2
Molecular Weight
218.050000
Exact Mass
216.973840
SMILES
C1=C(C=C(N=C1CO)CO)Br
InChI
InChI=1S/C7H8BrNO2/c8-5-1-6(3-10)9-7(2-5)4-11/h1-2,10-11H,3-4H2
InChIKey
YKHIIERVIUJUBD-UHFFFAOYSA-N
Synonyms
(4-bromopyridine-2,6-diyl)dimethanol 4-BROMOPYRIDINE-2,6-DIMETHANOL [4-bromo-6-(hydroxymethyl)pyridin-2-yl]methanol MFCD09910217 4-Bromo-2,6-bis(hydroxymethyl)pyridine

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.78
TPSA
53.35

LogP / Solubility

WLOGP
0.83
MLOGP
0.73
XLogP3
-0.2
Consensus LogP
0.45
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-3.46

Drug-likeness / Medicinal Chemistry

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

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