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CAS 1215568-62-9 2-Amino-1-(4’-methoxy-3’-sulfonamidophenyl)-2-propanone-d3 Hydrochloride molecular structure lightbox
CAS RN: 1215568-62-9

2-Amino-1-(4’-methoxy-3’-sulfonamidophenyl)-2-propanone-d3 Hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260401 20mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1215568-62-9
  • Purity/Analytical Methods: >99.0%
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1215568-62-9 / 5-(2-aminopropanoyl)-2-methoxybenzenesulfonamide;hydrochloride

Standard CAS: 1215568-62-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1215568-62-9
Multi CAS
No
Molecular Formula
C10H15ClN2O4S
Molecular Weight
294.760000
Exact Mass
294.044106
SMILES
CC(C(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N)N.Cl
InChI
InChI=1S/C10H14N2O4S.ClH/c1-6(11)10(13)7-3-4-8(16-2)9(5-7)17(12,14)15;/h3-6H,11H2,1-2H3,(H2,12,14,15);1H
InChIKey
YRTBHJKEELYVGI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
69.6
TPSA
112.48

LogP / Solubility

WLOGP
0.29
MLOGP
0.27
XLogP3
0.29
Consensus LogP
0.28
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-4.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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