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CAS 220001-93-4 6-Chloro-2,3-bis(hydroxymethyl)pyridine molecular structure lightbox
CAS RN: 220001-93-4

6-Chloro-2,3-bis(hydroxymethyl)pyridine

  • Product code: SSC-105834
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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, 1g, 5g, 0.25g
  • Available purity: >95%
  • 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 220001-93-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry
0.25g >95% 3 In Stock Shenzhen Inquiry

220001-93-4 / [6-chloro-2-(hydroxymethyl)-3-pyridinyl]methanol

Standard CAS: 220001-93-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220001-93-4
Multi CAS
No
Molecular Formula
C7H8ClNO2
Molecular Weight
173.600000
Exact Mass
173.024356
SMILES
C1=CC(=NC(=C1CO)CO)Cl
InChI
InChI=1S/C7H8ClNO2/c8-7-2-1-5(3-10)6(4-11)9-7/h1-2,10-11H,3-4H2
InChIKey
AURNCCDRERCCJY-UHFFFAOYSA-N

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
41.09
TPSA
53.35

LogP / Solubility

WLOGP
0.72
MLOGP
0.63
XLogP3
0.1
Consensus LogP
0.48
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
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)
-3.27

Drug-likeness / Medicinal Chemistry

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

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