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CAS 166272-81-7 4-CHLORO-3-HYDROXY-BENZOIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 166272-81-7

4-CHLORO-3-HYDROXY-BENZOIC ACID METHYL ESTER

  • Product code: SSC-072585
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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: 0.25g, 1g, 0.1g, 5g, 10g
  • Available purity: ≥98%
  • 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 166272-81-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥98% 5 In Stock Shanghai Inquiry
1g ≥98% 5 In Stock Shenzhen Inquiry
0.1g ≥98% 1 In Stock Shenzhen Inquiry
5g ≥98% 1 In Stock Hong Kong Inquiry
10g ≥98% 1 In Stock Shenzhen Inquiry

166272-81-7 / methyl 4-chloro-3-hydroxybenzoate

Standard CAS: 166272-81-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
166272-81-7
Multi CAS
No
Molecular Formula
C8H7ClO3
Molecular Weight
186.590000
Exact Mass
186.008372
SMILES
COC(=O)C1=CC(=C(C=C1)Cl)O
InChI
InChI=1S/C8H7ClO3/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,10H,1H3
InChIKey
JTYWGSFSTNIJTA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.46
TPSA
46.53

LogP / Solubility

WLOGP
1.83
MLOGP
1.61
XLogP3
2.3
Consensus LogP
1.91
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-2.56

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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