![CAS 1041600-42-3 4-[(2-hydroxy-3-methoxybenzyl)amino]benzenesulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1041600-42-3.gif)
CAS RN: 1041600-42-3
4-[(2-hydroxy-3-methoxybenzyl)amino]benzenesulfonamide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250303 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1041600-42-3
- Purity/Analytical Methods: >99.0%
1041600-42-3 / 4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzenesulfonamide
4-[(2-hydroxy-3-methoxybenzyl)amino]benzenesulfonamide | 4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzenesulfonamide | 4-((2-hydroxy-3-methoxybenzyl)amino)benzenesulfonamide
Basic Information
CAS
1041600-42-3
Multi CAS
No
Molecular Formula
C14H16N2O4S
Molecular Weight
308.350000
Exact Mass
308.083078
SMILES
COC1=CC=CC(=C1O)CNC2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C14H16N2O4S/c1-20-13-4-2-3-10(14(13)17)9-16-11-5-7-12(8-6-11)21(15,18)19/h2-8,16-17H,9H2,1H3,(H2,15,18,19)
InChIKey
NEXIXCFUIHMVPG-UHFFFAOYSA-N
Synonyms
4-[(2-hydroxy-3-methoxybenzyl)amino]benzenesulfonamide
4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzenesulfonamide
4-((2-hydroxy-3-methoxybenzyl)amino)benzenesulfonamide
MFCD13374314
SCHEMBL16634257
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
79.8
TPSA
101.65
LogP / Solubility
WLOGP
1.66
MLOGP
1.47
XLogP3
1.6
Consensus LogP
1.58
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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![CAS 1041634-69-8 [4-[4-[3-Oxo-6′-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3′-yl]-1-piperazinyl]butyl]triphenyl-phosphonium iodide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1041634-69-8.gif)
