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CAS 120711-81-1 OTAVA-BB 1217676 molecular structure lightbox
CAS RN: 120711-81-1

OTAVA-BB 1217676

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260511 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250501 1g In stock Shanghai Inquiry
Batchno.20250801 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260507 250mg / 1g / 5g / 25g Confirm by inquiry Shandong 8-10 business days Inquiry
Batchno.20260416 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250212 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-021873
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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: 0.1g, 0.25g, 1g, 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 120711-81-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Shenzhen Inquiry
0.25g ≥97% 0 Out of Stock Shenzhen Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

120711-81-1 / 7-nitro-3,4-dihydro-2H-1,4-benzoxazine

7-Nitro-3,4-dihydro-2H-1,4-benzoxazine | DTXSID90593572 | RefChem:1074503

Standard CAS: 120711-81-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
120711-81-1
Multi CAS
No
Molecular Formula
C8H8N2O3
Molecular Weight
180.160000
Exact Mass
180.053492
SMILES
C1COC2=C(N1)C=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C8H8N2O3/c11-10(12)6-1-2-7-8(5-6)13-4-3-9-7/h1-2,5,9H,3-4H2
InChIKey
YKCFDUNYLMTXFC-UHFFFAOYSA-N
Synonyms
7-Nitro-3,4-dihydro-2H-1,4-benzoxazine DTXSID90593572 RefChem:1074503 DTXCID80544336 7-Nitro-3,4-dihydro-2H-1,4-benzooxazine

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47.08
TPSA
64.4

LogP / Solubility

WLOGP
1.4
MLOGP
1.23
XLogP3
1.5
Consensus LogP
1.38
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
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)
-2.83

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

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