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CAS 6935-23-5 Octadecanoic acid,4-(phenylmethoxy)phenyl ester molecular structure lightbox
CAS RN: 6935-23-5

Octadecanoic acid,4-(phenylmethoxy)phenyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260307 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-178989
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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: 25g
  • 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 6935-23-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

6935-23-5 / (4-phenylmethoxyphenyl) octadecanoate

Standard CAS: 6935-23-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6935-23-5
Multi CAS
Yes
Molecular Formula
C31H46O3
Molecular Weight
466.700000
Exact Mass
466.344695
InChI
InChI=1S/C31H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-31(32)34-30-25-23-29(24-26-30)33-27-28-20-17-16-18-21-28/h16-18,20-21,23-26H,2-15,19,22,27H2,1H3
InChIKey
UCRLEKRZANBRGU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.58
Rotatable bonds
20
H-bond acceptors
3
Molar refractivity
142.4
TPSA
35.53

LogP / Solubility

WLOGP
9.43
MLOGP
8.33
XLogP3
11.5
Consensus LogP
9.75
Log S (ESOL)
-7.62
Class (ESOL)
Insoluble
Log S (Ali)
-10.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.92
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
1.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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