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CAS 222541-76-6 4-(5-METHYL-1,2,4-OXADIAZOL-3-YL)BENZOYL CHLORIDE molecular structure lightbox
CAS RN: 222541-76-6

4-(5-METHYL-1,2,4-OXADIAZOL-3-YL)BENZOYL CHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260409 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-107236
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • 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 222541-76-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Beijing Inquiry
1g >95% 0 Out of Stock Beijing Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

222541-76-6 / 4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl chloride

Standard CAS: 222541-76-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
222541-76-6
Multi CAS
No
Molecular Formula
C10H7ClN2O2
Molecular Weight
222.630000
Exact Mass
222.019605
SMILES
CC1=NC(=NO1)C2=CC=C(C=C2)C(=O)Cl
InChI
InChI=1S/C10H7ClN2O2/c1-6-12-10(13-15-6)8-4-2-7(3-5-8)9(11)14/h2-5H,1H3
InChIKey
SMBDBBBBXFXBSK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
54.65
TPSA
55.99

LogP / Solubility

WLOGP
2.42
MLOGP
2.14
XLogP3
2.9
Consensus LogP
2.49
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
Class (SILICOS-IT)
Poorly 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)
-2.36

Drug-likeness / Medicinal Chemistry

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

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