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CAS 29699-89-6 4-Nitro Sulfamethoxazole molecular structure lightbox
CAS RN: 29699-89-6

4-Nitro Sulfamethoxazole

  • Product code: SSC-132790
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 29699-89-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

29699-89-6 / N-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzenesulfonamide

Standard CAS: 29699-89-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29699-89-6
Multi CAS
Yes
Molecular Formula
C10H9N3O5S
Molecular Weight
283.260000
Exact Mass
283.026292
InChI
InChI=1S/C10H9N3O5S/c1-7-6-10(11-18-7)12-19(16,17)9-4-2-8(3-5-9)13(14)15/h2-6H,1H3,(H,11,12)
InChIKey
XHJLDAHBWWMCRZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
65.14
TPSA
115.34

LogP / Solubility

WLOGP
1.69
MLOGP
1.5
XLogP3
1.4
Consensus LogP
1.53
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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)
-3.25

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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