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CAS 1243364-91-1 3-Hydroxy-5-(methylsulfonamido)benzoic Acid molecular structure lightbox
CAS RN: 1243364-91-1

3-Hydroxy-5-(methylsulfonamido)benzoic Acid

  • Product code: SSC-028247
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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
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 1243364-91-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Shenzhen Inquiry

1243364-91-1 / 3-hydroxy-5-(methanesulfonamido)benzoic acid

Standard CAS: 1243364-91-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1243364-91-1
Multi CAS
No
Molecular Formula
C8H9NO5S
Molecular Weight
231.230000
Exact Mass
231.020144
SMILES
CS(=O)(=O)NC1=CC(=CC(=C1)C(=O)O)O
InChI
InChI=1S/C8H9NO5S/c1-15(13,14)9-6-2-5(8(11)12)3-7(10)4-6/h2-4,9-10H,1H3,(H,11,12)
InChIKey
XPCOEDMQLLTOQP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
53.53
TPSA
103.7

LogP / Solubility

WLOGP
0.46
MLOGP
0.41
XLogP3
0.1
Consensus LogP
0.32
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
Class (SILICOS-IT)
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)
-3.8

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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