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CAS 7652-29-1 6-CHLORO-2H-1,4-BENZOXAZIN-3(4H)-ONE molecular structure lightbox
CAS RN: 7652-29-1

6-CHLORO-2H-1,4-BENZOXAZIN-3(4H)-ONE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250101 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-185931
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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: 5g
  • Available purity: ≥97%
  • 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 7652-29-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

7652-29-1 / 6-chloro-4H-1,4-benzoxazin-3-one

Standard CAS: 7652-29-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7652-29-1
Multi CAS
No
Molecular Formula
C8H6CLNO2
Molecular Weight
183.590000
Exact Mass
183.008706
InChI
InChI=1S/C8H6ClNO2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4H2,(H,10,11)
InChIKey
OBPIPKQQNRACHV-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
45.58
TPSA
38.33

LogP / Solubility

WLOGP
1.67
MLOGP
1.47
XLogP3
1.5
Consensus LogP
1.55
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65

Drug-likeness / Medicinal Chemistry

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

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