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CAS 73630-07-6 Tetraethyl 2,2′,2”,2”’-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(azanetriyl))tetraacetate molecular structure lightbox
CAS RN: 73630-07-6

Tetraethyl 2,2′,2”,2”’-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(azanetriyl))tetraacetate

  • Product code: SSC-183056
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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 73630-07-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

73630-07-6 / ethyl 2-[2-[2-[2-[bis(2-ethoxy-2-oxoethyl)amino]phenoxy]ethoxy]-N-(2-ethoxy-2-oxoethyl)anilino]acetate

Standard CAS: 73630-07-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
73630-07-6
Multi CAS
No
Molecular Formula
C30H40N2O10
Molecular Weight
588.600000
Exact Mass
588.268295
InChI
InChI=1S/C30H40N2O10/c1-5-37-27(33)19-31(20-28(34)38-6-2)23-13-9-11-15-25(23)41-17-18-42-26-16-12-10-14-24(26)32(21-29(35)39-7-3)22-30(36)40-8-4/h9-16H,5-8,17-22H2,1-4H3
InChIKey
OLXCPQDFHUCXBA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
12
Fraction Csp3
0.47
Rotatable bonds
19
H-bond acceptors
12
Molar refractivity
154.83
TPSA
130.14

LogP / Solubility

WLOGP
3.01
MLOGP
2.7
XLogP3
5
Consensus LogP
3.57
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.26
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.17

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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