[email protected]
CAS 238428-26-7 3-(Methylsulfonylamino)benzylamine Hydrochloride molecular structure lightbox
CAS RN: 238428-26-7

3-(Methylsulfonylamino)benzylamine Hydrochloride

  • Product code: SSC-116268
GET A QUOTE
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, 10g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 238428-26-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
1g >97% 1 In Stock Beijing Inquiry
5g >97% 1 In Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry

238428-26-7 / N-[3-(aminomethyl)phenyl]methanesulfonamide;hydrochloride

Standard CAS: 238428-26-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
238428-26-7
Multi CAS
No
Molecular Formula
C8H13ClN2O2S
Molecular Weight
236.720000
Exact Mass
236.038627
SMILES
CS(=O)(=O)NC1=CC=CC(=C1)CN.Cl
InChI
InChI=1S/C8H12N2O2S.ClH/c1-13(11,12)10-8-4-2-3-7(5-8)6-9;/h2-5,10H,6,9H2,1H3;1H
InChIKey
QRQYQHPUXNPLOG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.05
TPSA
72.19

LogP / Solubility

WLOGP
0.94
MLOGP
0.83
XLogP3
0.94
Consensus LogP
0.9
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us