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CAS 16105-44-5 Ethyl 2-(benzo[d]oxazol-2-yl)acetate molecular structure lightbox
CAS RN: 16105-44-5

Ethyl 2-(benzo[d]oxazol-2-yl)acetate

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250227 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250723 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20250202 1g In stock Shanghai Inquiry
Batchno.20260321 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250905 5g In stock Shanghai Inquiry
  • Product code: SSC-068801
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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: ≥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 16105-44-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

16105-44-5 / ethyl 2-(1,3-benzoxazol-2-yl)acetate

Standard CAS: 16105-44-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16105-44-5
Multi CAS
No
Molecular Formula
C11H11NO3
Molecular Weight
205.210000
Exact Mass
205.073893
SMILES
CCOC(=O)CC1=NC2=CC=CC=C2O1
InChI
InChI=1S/C11H11NO3/c1-2-14-11(13)7-10-12-8-5-3-4-6-9(8)15-10/h3-6H,2,7H2,1H3
InChIKey
PEUNWNPBUTVGSI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
54.35
TPSA
52.33

LogP / Solubility

WLOGP
1.93
MLOGP
1.7
XLogP3
2
Consensus LogP
1.88
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-2.6

Drug-likeness / Medicinal Chemistry

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

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