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CAS 17103-52-5 SulfaMethoxazole Related CoMpound F molecular structure lightbox
CAS RN: 17103-52-5

SulfaMethoxazole Related CoMpound F

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260614 5mg / 25mg / 50mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS17103-52-5
  • Purity/Analytical Methods: >99.0%
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17103-52-5 / 4-amino-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

Standard CAS: 17103-52-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17103-52-5
Multi CAS
No
Molecular Formula
C10H11N3O3S
Molecular Weight
253.280000
Exact Mass
253.052112
SMILES
CC1=NOC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H11N3O3S/c1-7-6-10(16-12-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6,13H,11H2,1H3
InChIKey
KBLGZYOVYFTAOB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
62.9
TPSA
98.22

LogP / Solubility

WLOGP
1.37
MLOGP
1.21
XLogP3
0.9
Consensus LogP
1.16
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3

Drug-likeness / Medicinal Chemistry

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

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