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CAS 1047724-24-2 2-(2-(Methylsulfonamido)phenyl)acetic Acid molecular structure lightbox
CAS RN: 1047724-24-2

2-(2-(Methylsulfonamido)phenyl)acetic Acid

  • Product code: SSC-006518
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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, 0.1g, 0.25g, 10g
  • Available purity: >97%
  • 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 1047724-24-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
0.1g >97% 2 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry

1047724-24-2 / 2-[2-(methanesulfonamido)phenyl]acetic acid

2-(2-(METHYLSULFONAMIDO)PHENYL)ACETIC ACID | 2-[2-(Methylsulfonamido)phenyl]acetic Acid | MFCD11052342

Standard CAS: 1047724-24-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1047724-24-2
Multi CAS
Yes
Molecular Formula
C9H11NO4S
Molecular Weight
229.260000
Exact Mass
229.040879
SMILES
CS(=O)(=O)NC1=CC=CC=C1CC(=O)O
InChI
InChI=1S/C9H11NO4S/c1-15(13,14)10-8-5-3-2-4-7(8)6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
InChIKey
XFQVSOVZZYQXDH-UHFFFAOYSA-N
Synonyms
2-(2-(METHYLSULFONAMIDO)PHENYL)ACETIC ACID 2-[2-(Methylsulfonamido)phenyl]acetic Acid MFCD11052342 2-[2-(methanesulfonamido)phenyl]acetic acid 2-(2-methanesulfonamidophenyl)acetic acid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.25
TPSA
83.47

LogP / Solubility

WLOGP
0.69
MLOGP
0.61
XLogP3
0.4
Consensus LogP
0.57
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.63

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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