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CAS 874840-87-6 BUTTPARK 1207-79 molecular structure lightbox
CAS RN: 874840-87-6

BUTTPARK 1207-79

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251018 100mg In stock Shanghai Inquiry
Batchno.20250929 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250204 250mg Out of stock Inquiry
Batchno.20250911 5g Out of stock Inquiry
  • Product code: SSC-197523
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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 874840-87-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

874840-87-6 / 7-iodo-4H-1,4-benzoxazin-3-one

Standard CAS: 874840-87-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
874840-87-6
Multi CAS
No
Molecular Formula
C8H6InO2
Molecular Weight
275.040000
Exact Mass
274.944330
InChI
InChI=1S/C8H6INO2/c9-5-1-2-6-7(3-5)12-4-8(11)10-6/h1-3H,4H2,(H,10,11)
InChIKey
RNGWLYQJCXPBKZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.28
TPSA
38.33

LogP / Solubility

WLOGP
1.62
MLOGP
1.44
XLogP3
1.5
Consensus LogP
1.52
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
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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