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CAS 724-98-1 2-Phenoxymethylbenzoic Acid molecular structure lightbox
CAS RN: 724-98-1

2-Phenoxymethylbenzoic Acid

  • Product code: SSC-181913
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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: 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 724-98-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 1 In Stock Beijing Inquiry
5g >98% 1 In Stock Hong Kong Inquiry
10g >98% 1 In Stock Shanghai Inquiry
25g >98% 1 In Stock Hong Kong Inquiry
100g >98% 1 In Stock Shenzhen Inquiry

724-98-1 / 2-(phenoxymethyl)benzoic acid

Standard CAS: 724-98-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
724-98-1
Multi CAS
Yes
Molecular Formula
C14H12O3
Molecular Weight
228.240000
Exact Mass
228.078644
InChI
InChI=1S/C14H12O3/c15-14(16)13-9-5-4-6-11(13)10-17-12-7-2-1-3-8-12/h1-9H,10H2,(H,15,16)
InChIKey
YKNORODREYVARM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.18
TPSA
46.53

LogP / Solubility

WLOGP
2.96
MLOGP
2.61
XLogP3
2.9
Consensus LogP
2.82
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
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)
-2.01

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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