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CAS 277331-17-6 Benzenemethanol, 2-chloro-3-hydroxy- molecular structure lightbox
CAS RN: 277331-17-6

Benzenemethanol, 2-chloro-3-hydroxy-

  • Product code: SSC-128070
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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: ≥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 277331-17-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Hong Kong Inquiry

277331-17-6 / 2-chloro-3-(hydroxymethyl)phenol

Standard CAS: 277331-17-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
277331-17-6
Multi CAS
No
Molecular Formula
C7H7ClO2
Molecular Weight
158.580000
Exact Mass
158.013457
SMILES
C1=CC(=C(C(=C1)O)Cl)CO
InChI
InChI=1S/C7H7ClO2/c8-7-5(4-9)2-1-3-6(7)10/h1-3,9-10H,4H2
InChIKey
VFCYCVIHXKLLNX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.04
TPSA
40.46

LogP / Solubility

WLOGP
1.54
MLOGP
1.35
XLogP3
1.3
Consensus LogP
1.4
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
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)
-2.6

Drug-likeness / Medicinal Chemistry

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

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