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CAS 1092351-98-8 2-BroMo-5-oxazoleMethanol molecular structure lightbox
CAS RN: 1092351-98-8

2-BroMo-5-oxazoleMethanol

  • Product code: SSC-010409
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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: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • 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 1092351-98-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

1092351-98-8 / (2-bromo-1,3-oxazol-5-yl)methanol

2-bromo-5-Oxazolemethanol | RefChem:257401 | (2-Bromooxazol-5-yl)methanol

Standard CAS: 1092351-98-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1092351-98-8
Multi CAS
Yes
Molecular Formula
C4H4BrNO2
Molecular Weight
177.980000
Exact Mass
176.942540
SMILES
C1=C(OC(=N1)Br)CO
InChI
InChI=1S/C4H4BrNO2/c5-4-6-1-3(2-7)8-4/h1,7H,2H2
InChIKey
YHORZBKNAWWYAP-UHFFFAOYSA-N
Synonyms
2-bromo-5-Oxazolemethanol RefChem:257401 (2-Bromooxazol-5-yl)methanol (2-bromo-1,3-oxazol-5-yl)methanol 2-Bromo-5-hydroxymethyloxazole

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
30.13
TPSA
46.26

LogP / Solubility

WLOGP
0.93
MLOGP
0.82
XLogP3
0.5
Consensus LogP
0.75
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
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)
-3.15

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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