[email protected]
CAS 1201-68-9 3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole molecular structure lightbox
CAS RN: 1201-68-9

3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251201 100mg In stock Shanghai Inquiry
Batchno.20260322 1g In stock Shanghai Inquiry
Batchno.20260520 250mg In stock Shanghai Inquiry
Batchno.20260312 5g In stock Shanghai Inquiry
  • Product code: SSC-020876
GET A QUOTE
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: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1201-68-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1201-68-9 / 3-(chloromethyl)-5-phenyl-1,2,4-oxadiazole

3-(chloromethyl)-5-phenyl-1,2,4-oxadiazole | DTXSID50306988 | RefChem:494661

Standard CAS: 1201-68-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1201-68-9
Multi CAS
No
Molecular Formula
C9H7ClN2O
Molecular Weight
194.620000
Exact Mass
194.024691
SMILES
C1=CC=C(C=C1)C2=NC(=NO2)CCl
InChI
InChI=1S/C9H7ClN2O/c10-6-8-11-9(13-12-8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
VEIXFEJMHJPUBS-UHFFFAOYSA-N
Synonyms
3-(chloromethyl)-5-phenyl-1,2,4-oxadiazole DTXSID50306988 RefChem:494661 DTXCID50258115 673-111-0

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
49.29
TPSA
38.92

LogP / Solubility

WLOGP
2.48
MLOGP
2.18
XLogP3
2.2
Consensus LogP
2.29
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly 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)
-2.15

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

Customers Also Viewed

Get In Touch

Contact Us