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CAS 10531-78-9 5-Methylbenzoxazole molecular structure lightbox
CAS RN: 10531-78-9

5-Methylbenzoxazole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250909 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-007049
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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: 25g
  • Available purity: ＞97%
  • 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 10531-78-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

10531-78-9 / 5-methyl-1,3-benzoxazole

5-Methylbenzoxazole | 5-methyl-1,3-benzoxazole | DTXSID40369305

Standard CAS: 10531-78-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10531-78-9
Multi CAS
No
Molecular Formula
C8H7NO
Molecular Weight
133.150000
Exact Mass
133.052764
SMILES
CC1=CC2=C(C=C1)OC=N2
InChI
InChI=1S/C8H7NO/c1-6-2-3-8-7(4-6)9-5-10-8/h2-5H,1H3
InChIKey
UBIAVBGIRDRQLD-UHFFFAOYSA-N
Synonyms
5-Methylbenzoxazole 5-methyl-1,3-benzoxazole DTXSID40369305 RefChem:537247 DTXCID50320341

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
38.75
TPSA
26.03

LogP / Solubility

WLOGP
2.14
MLOGP
1.87
XLogP3
2
Consensus LogP
2
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-2.02

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (93.6%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (14.9%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (85.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (14.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (12.8%): 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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