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CAS 6387-28-6 (4-aminophenyl)methanesulfonic acid molecular structure lightbox
CAS RN: 6387-28-6

(4-aminophenyl)methanesulfonic acid

  • Product code: SSC-173655
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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, 5g
  • Available purity: >95%
  • 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 6387-28-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Beijing Inquiry

6387-28-6 / (4-aminophenyl)methanesulfonic acid

Standard CAS: 6387-28-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6387-28-6
Multi CAS
Yes
Molecular Formula
C7H9NO3S
Molecular Weight
187.220000
Exact Mass
187.030314
InChI
InChI=1S/C7H9NO3S/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4H,5,8H2,(H,9,10,11)
InChIKey
QJGHJWKPZQIOSN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.11
TPSA
80.39

LogP / Solubility

WLOGP
0.66
MLOGP
0.58
XLogP3
-0.1
Consensus LogP
0.38
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-3.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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