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CAS 116081-17-5 7-BROMO-2-METHYL-OXAZOLO[4,5-C]PYRIDINE molecular structure lightbox
CAS RN: 116081-17-5

7-BROMO-2-METHYL-OXAZOLO[4,5-C]PYRIDINE

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260423 100mg / 250mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260414 100mg In stock Shanghai Inquiry
Batchno.20251117 1g In stock Shanghai Inquiry
Batchno.20250115 250mg In stock Shanghai Inquiry
Batchno.20250817 5g In stock Shanghai Inquiry
  • Product code: SSC-016207
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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: 1g
  • 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 116081-17-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

116081-17-5 / 7-bromo-2-methyl-[1,3]oxazolo[4,5-c]pyridine

7-bromo-2-methyl-[1,3]oxazolo[4,5-c]pyridine | 7-Bromo-2-methyl-(1,3)oxazolo(4,5-c)pyridine | RefChem:545706

Standard CAS: 116081-17-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
116081-17-5
Multi CAS
No
Molecular Formula
C7H5BrN2O
Molecular Weight
213.030000
Exact Mass
211.958530
SMILES
CC1=NC2=CN=CC(=C2O1)Br
InChI
InChI=1S/C7H5BrN2O/c1-4-10-6-3-9-2-5(8)7(6)11-4/h2-3H,1H3
InChIKey
LACXEYMKTOJZHX-UHFFFAOYSA-N
Synonyms
7-bromo-2-methyl-[1,3]oxazolo[4,5-c]pyridine 7-Bromo-2-methyl-(1,3)oxazolo(4,5-c)pyridine RefChem:545706 892-656-7 7-Bromo-2-methyloxazolo[4,5-c]pyridine

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
44.24
TPSA
38.92

LogP / Solubility

WLOGP
2.29
MLOGP
2.02
XLogP3
1.8
Consensus LogP
2.04
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
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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