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CAS 3626-00-4 2,2′,2”,2”’-(Ethylenebisnitrilo)tetrakis(acetic acid ethyl) ester molecular structure lightbox
CAS RN: 3626-00-4

2,2′,2”,2”’-(Ethylenebisnitrilo)tetrakis(acetic acid ethyl) ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260206 100mg / 250mg / 1g Confirm by inquiry Guangdong, Shanghai Inquiry
  • Product code: starshine_CAS3626-00-4
  • Purity/Analytical Methods: >99.0%
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3626-00-4 / ethyl 2-[2-[bis(2-ethoxy-2-oxoethyl)amino]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate

Standard CAS: 3626-00-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3626-00-4
Multi CAS
Yes
Molecular Formula
C18H32N2O8
Molecular Weight
404.500000
Exact Mass
404.215866
InChI
InChI=1S/C18H32N2O8/c1-5-25-15(21)11-19(12-16(22)26-6-2)9-10-20(13-17(23)27-7-3)14-18(24)28-8-4/h5-14H2,1-4H3
InChIKey
BUKIENGEWNQURM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.78
Rotatable bonds
15
H-bond acceptors
10
Molar refractivity
99.41
TPSA
111.68

LogP / Solubility

WLOGP
-0.16
MLOGP
-0.11
XLogP3
1.5
Consensus LogP
0.41
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.3

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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