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CAS 3739-38-6 3-Phenoxybenzoic Acid molecular structure lightbox
CAS RN: 3739-38-6

3-Phenoxybenzoic Acid

  • Product code: SSC-144685
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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: 1g, 5g, 10g, 25g, 100g
  • Available purity: ≥98%
  • 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 3739-38-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 3 In Stock Hong Kong Inquiry
5g ≥98% 2 In Stock Shenzhen Inquiry
10g ≥98% 1 In Stock Beijing Inquiry
25g ≥98% 1 In Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry

3739-38-6 / 3-phenoxybenzoic acid

Standard CAS: 3739-38-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3739-38-6
Multi CAS
No
Molecular Formula
C13H10O3
Molecular Weight
214.220000
Exact Mass
214.062994
InChI
InChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)
InChIKey
NXTDJHZGHOFSQG-UHFFFAOYSA-N

Physical Properties

Melting Point
149 - 150 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.92
TPSA
46.53

LogP / Solubility

WLOGP
3.18
MLOGP
2.8
XLogP3
3.9
Consensus LogP
3.29
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77

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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