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CAS 100367-83-7 (3-METHYL-ISOXAZOL-4-YL)-METHANOL molecular structure lightbox
CAS RN: 100367-83-7

(3-METHYL-ISOXAZOL-4-YL)-METHANOL

  • Product code: SSC-000884
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 100367-83-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 1 In Stock Shenzhen Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Beijing Inquiry

100367-83-7 / (3-methyl-1,2-oxazol-4-yl)methanol

(3-methyl-1,2-oxazol-4-yl)methanol | DTXSID70634179 | RefChem:207712

Standard CAS: 100367-83-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
100367-83-7
Multi CAS
No
Molecular Formula
C5H7NO2
Molecular Weight
113.110000
Exact Mass
113.047678
SMILES
CC1=NOC=C1CO
InChI
InChI=1S/C5H7NO2/c1-4-5(2-7)3-8-6-4/h3,7H,2H2,1H3
InChIKey
IKGIRSAMZDRLHN-UHFFFAOYSA-N
Synonyms
(3-methyl-1,2-oxazol-4-yl)methanol DTXSID70634179 RefChem:207712 DTXCID00584931 841-709-2

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
27.16
TPSA
46.26

LogP / Solubility

WLOGP
0.48
MLOGP
0.41
XLogP3
-0.1
Consensus LogP
0.26
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.91
Class (SILICOS-IT)
Very 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)
-3.07

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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