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CAS 1192-80-9 3-(CHLOROMETHYL)-5-METHYL-1,2,4-OXADIAZOLE molecular structure lightbox
CAS RN: 1192-80-9

3-(CHLOROMETHYL)-5-METHYL-1,2,4-OXADIAZOLE

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251217 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250729 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250405 25g Out of stock Inquiry
Batchno.20250913 5g In stock Chengdu Inquiry
  • Product code: SSC-019691
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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: ＞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 1192-80-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

1192-80-9 / 3-(chloromethyl)-5-methyl-1,2,4-oxadiazole

3-(chloromethyl)-5-methyl-1,2,4-oxadiazole | DTXSID10306989 | RefChem:494654

Standard CAS: 1192-80-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1192-80-9
Multi CAS
No
Molecular Formula
C4H5ClN2O
Molecular Weight
132.550000
Exact Mass
132.009041
SMILES
CC1=NC(=NO1)CCl
InChI
InChI=1S/C4H5ClN2O/c1-3-6-4(2-5)7-8-3/h2H2,1H3
InChIKey
ZFYVXZGJPJTIPQ-UHFFFAOYSA-N
Synonyms
3-(chloromethyl)-5-methyl-1,2,4-oxadiazole DTXSID10306989 RefChem:494654 DTXCID10258116 692-261-8

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
28.59
TPSA
38.92

LogP / Solubility

WLOGP
1.12
MLOGP
0.97
XLogP3
1
Consensus LogP
1.03
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
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)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (75%): Harmful in contact with skin [Warning Acute toxicity, dermal] H314 (25%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501

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