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CAS 177210-33-2 5-HYDROXY-2H-1,4-BENZOXAZIN-3(4H)-ONE molecular structure lightbox
CAS RN: 177210-33-2

5-HYDROXY-2H-1,4-BENZOXAZIN-3(4H)-ONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260331 250mg / 1g / 5g Out of stock 15 business days Inquiry
  • Product code: SSC-077479
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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 177210-33-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

177210-33-2 / 5-hydroxy-4H-1,4-benzoxazin-3-one

Standard CAS: 177210-33-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
177210-33-2
Multi CAS
No
Molecular Formula
C8H7NO3
Molecular Weight
165.150000
Exact Mass
165.042593
SMILES
C1C(=O)NC2=C(C=CC=C2O1)O
InChI
InChI=1S/C8H7NO3/c10-5-2-1-3-6-8(5)9-7(11)4-12-6/h1-3,10H,4H2,(H,9,11)
InChIKey
RVBZJDZYVVGTTH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
3
H-bond donors
2
Molar refractivity
42.23
TPSA
58.56

LogP / Solubility

WLOGP
0.72
MLOGP
0.63
XLogP3
0.5
Consensus LogP
0.62
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
Class (SILICOS-IT)
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)
-3.21

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, and P501

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