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CAS 1060817-48-2 (5-cyclopropyl-3-isoxazolyl)methanol(SALTDATA: FREE) molecular structure lightbox
CAS RN: 1060817-48-2

(5-cyclopropyl-3-isoxazolyl)methanol(SALTDATA: FREE)

  • Product code: SSC-007913
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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 1060817-48-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1060817-48-2 / (5-cyclopropyl-1,2-oxazol-3-yl)methanol

(5-cyclopropyl-1,2-oxazol-3-yl)methanol | DTXSID40651015 | RefChem:209442

Standard CAS: 1060817-48-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1060817-48-2
Multi CAS
No
Molecular Formula
C7H9NO2
Molecular Weight
139.150000
Exact Mass
139.063329
SMILES
C1CC1C2=CC(=NO2)CO
InChI
InChI=1S/C7H9NO2/c9-4-6-3-7(10-8-6)5-1-2-5/h3,5,9H,1-2,4H2
InChIKey
NUYRQGMZXHHVQB-UHFFFAOYSA-N
Synonyms
(5-cyclopropyl-1,2-oxazol-3-yl)methanol DTXSID40651015 RefChem:209442 DTXCID70601765 808-468-5

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.4
TPSA
46.26

LogP / Solubility

WLOGP
1.04
MLOGP
0.91
XLogP3
0.1
Consensus LogP
0.68
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-2.83

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

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