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CAS 174398-83-5 Ethyl 3,4-bis(benzyloxy)benzoate molecular structure lightbox
CAS RN: 174398-83-5

Ethyl 3,4-bis(benzyloxy)benzoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251004 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-076510
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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 174398-83-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

174398-83-5 / ethyl 3,4-bis(phenylmethoxy)benzoate

Standard CAS: 174398-83-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
174398-83-5
Multi CAS
No
Molecular Formula
C23H22O4
Molecular Weight
362.400000
Exact Mass
362.151809
SMILES
CCOC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C23H22O4/c1-2-25-23(24)20-13-14-21(26-16-18-9-5-3-6-10-18)22(15-20)27-17-19-11-7-4-8-12-19/h3-15H,2,16-17H2,1H3
InChIKey
OYGDJCJJPUKBCI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
103.95
TPSA
44.76

LogP / Solubility

WLOGP
5.02
MLOGP
4.44
XLogP3
5.1
Consensus LogP
4.85
Log S (ESOL)
-5.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.14
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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