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CAS 1204669-70-4 Sulfamide,N-[2-[[4-[4-(3-bromo-4-fluorophenyl)-4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]- molecular structure lightbox
CAS RN: 1204669-70-4

Sulfamide,N-[2-[[4-[4-(3-bromo-4-fluorophenyl)-4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260622 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-021486
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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 1204669-70-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1204669-70-4 / 4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[2-(sulfamoylamino)ethylamino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole

N-[2-[[4-[4-(3-Bromo-4-fluorophenyl)-4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]sulfamide | N-[2-({4-[4-(3-Bromo-4-fluorophenyl)-5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl}amino)ethyl]sulfamide | MFCD28411736

Standard CAS: 1204669-70-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1204669-70-4
Multi CAS
Yes
Molecular Formula
C12H11BrFN7O5S
Molecular Weight
464.230000
Exact Mass
462.970980
SMILES
C1=CC(=C(C=C1N2C(=NOC2=O)C3=NON=C3NCCNS(=O)(=O)N)Br)F
InChI
InChI=1S/C12H11BrFN7O5S/c13-7-5-6(1-2-8(7)14)21-11(20-25-12(21)22)9-10(19-26-18-9)16-3-4-17-27(15,23)24/h1-2,5,17H,3-4H2,(H,16,19)(H2,15,23,24)
InChIKey
WPFYQYPOBTVMOE-UHFFFAOYSA-N
Synonyms
N-[2-[[4-[4-(3-Bromo-4-fluorophenyl)-4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]sulfamide N-[2-({4-[4-(3-Bromo-4-fluorophenyl)-5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl}amino)ethyl]sulfamide MFCD28411736 Sulfamide, N-[2-[[4-[4-(3-bromo-4-fluorophenyl)-4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]- 4-(3-bromo-4-fluorophenyl)-5-oxo-3-[4-[2-(sulfamoylamino)ethylamino]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.17
Rotatable bonds
7
H-bond acceptors
10
H-bond donors
3
Molar refractivity
92.65
TPSA
171.17

LogP / Solubility

WLOGP
-0.02
MLOGP
0.02
XLogP3
0.9
Consensus LogP
0.3
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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