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CAS 64037-11-2 7-Chloro-2-benzoxazolamine molecular structure lightbox
CAS RN: 64037-11-2

7-Chloro-2-benzoxazolamine

  • Product code: SSC-173825
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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: ≥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 64037-11-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

64037-11-2 / 7-chloro-1,3-benzoxazol-2-amine

Standard CAS: 64037-11-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
64037-11-2
Multi CAS
No
Molecular Formula
C7H5CLN2O
Molecular Weight
168.580000
Exact Mass
168.009041
InChI
InChI=1S/C7H5ClN2O/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3H,(H2,9,10)
InChIKey
ZNJCQBBJHFLQAG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.43
TPSA
52.05

LogP / Solubility

WLOGP
2.06
MLOGP
1.81
XLogP3
2
Consensus LogP
1.96
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28

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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