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CAS 33926-46-4 Amyl 4-(4-Ethoxyphenoxycarbonyl)phenyl Carbonate molecular structure lightbox
CAS RN: 33926-46-4

Amyl 4-(4-Ethoxyphenoxycarbonyl)phenyl Carbonate

  • Product code: SSC-140125
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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 33926-46-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

33926-46-4 / (4-ethoxyphenyl) 4-pentoxycarbonyloxybenzoate

Standard CAS: 33926-46-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
33926-46-4
Multi CAS
Yes
Molecular Formula
C21H24O6
Molecular Weight
372.400000
Exact Mass
372.157288
InChI
InChI=1S/C21H24O6/c1-3-5-6-15-25-21(23)27-19-9-7-16(8-10-19)20(22)26-18-13-11-17(12-14-18)24-4-2/h7-14H,3-6,15H2,1-2H3
InChIKey
QVUSHDHMLLZBDM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
9
H-bond acceptors
6
Molar refractivity
100.51
TPSA
71.06

LogP / Solubility

WLOGP
5.01
MLOGP
4.43
XLogP3
5.6
Consensus LogP
5.01
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.32
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)
-1.43

Drug-likeness / Medicinal Chemistry

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

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