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CAS 36884-17-0 (3,4-DIHYDRO-2H-BENZO[1,4]OXAZIN-3-YL)-METHANOL molecular structure lightbox
CAS RN: 36884-17-0

(3,4-DIHYDRO-2H-BENZO[1,4]OXAZIN-3-YL)-METHANOL

  • Product code: SSC-144143
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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: 0.05g, 0.1g, 0.25g, 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 36884-17-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 0 Out of Stock Shenzhen Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

36884-17-0 / 3,4-dihydro-2H-1,4-benzoxazin-3-ylmethanol

Standard CAS: 36884-17-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
36884-17-0
Multi CAS
No
Molecular Formula
C9H11NO2
Molecular Weight
165.190000
Exact Mass
165.078979
InChI
InChI=1S/C9H11NO2/c11-5-7-6-12-9-4-2-1-3-8(9)10-7/h1-4,7,10-11H,5-6H2
InChIKey
HGLQOUQCZZTDIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.43
TPSA
41.49

LogP / Solubility

WLOGP
0.85
MLOGP
0.75
XLogP3
1
Consensus LogP
0.87
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
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)
-3.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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