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CAS 1189863-86-2 Sulfapyridine-d4 molecular structure lightbox
CAS RN: 1189863-86-2

Sulfapyridine-d4

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250521 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1189863-86-2
  • Purity/Analytical Methods: >99.0%
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1189863-86-2 / 4-amino-2,3,5,6-tetradeuterio-N-pyridin-2-ylbenzenesulfonamide

sulfapyridine | Sulphapyridine | 2-Sulfapyridine

Standard CAS: 1189863-86-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1189863-86-2
Multi CAS
Yes
Molecular Formula
C11H11N3O2S
Molecular Weight
253.320000
Exact Mass
253.082305
SMILES
[2H]C1=C(C(=C(C(=C1N)[2H])[2H])S(=O)(=O)NC2=CC=CC=N2)[2H]
InChI
InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)/i4D,5D,6D,7D
InChIKey
GECHUMIMRBOMGK-UGWFXTGHSA-N
Synonyms
sulfapyridine Sulphapyridine 2-Sulfapyridine 2-Sulfanilamidopyridine Coccoclase

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
65.9
TPSA
85.08

LogP / Solubility

WLOGP
1.46
MLOGP
1.29
Consensus LogP
0.92
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-3.2

Drug-likeness / Medicinal Chemistry

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

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