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CAS 82200-53-1 Benzoesure, 4-[[6-[(1-oxo-2-propenyl)oxy]hexyl]oxy]-, 4-methoxyphenylester molecular structure lightbox
CAS RN: 82200-53-1

Benzoesure, 4-[[6-[(1-oxo-2-propenyl)oxy]hexyl]oxy]-, 4-methoxyphenylester

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250923 100g In stock Shanghai Inquiry
Batchno.20260228 10g In stock Shanghai, Tianjin Inquiry
Batchno.20260123 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260211 1kg Out of stock Inquiry
Batchno.20250405 250mg In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20251026 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260622 500g In stock Shanghai Inquiry
Batchno.20250915 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-190417
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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: 10g
  • 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 82200-53-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry

82200-53-1 / (4-methoxyphenyl) 4-(6-prop-2-enoyloxyhexoxy)benzoate

Standard CAS: 82200-53-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
82200-53-1
Multi CAS
No
Molecular Formula
C23H26O6
Molecular Weight
398.400000
Exact Mass
398.172939
InChI
InChI=1S/C23H26O6/c1-3-22(24)28-17-7-5-4-6-16-27-20-10-8-18(9-11-20)23(25)29-21-14-12-19(26-2)13-15-21/h3,8-15H,1,4-7,16-17H2,2H3
InChIKey
JWXYMBDCGNXXRO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
12
H-bond acceptors
6
Molar refractivity
109.51
TPSA
71.06

LogP / Solubility

WLOGP
4.58
MLOGP
4.06
XLogP3
5.2
Consensus LogP
4.61
Log S (ESOL)
-4.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.49
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)
-1.9

Drug-likeness / Medicinal Chemistry

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

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