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CAS 71604-74-5 m-(2,3-epoxypropoxy)-N,N-bis(2,3-epoxypropyl)aniline molecular structure lightbox
CAS RN: 71604-74-5

m-(2,3-epoxypropoxy)-N,N-bis(2,3-epoxypropyl)aniline

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250803 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS71604-74-5
  • Purity/Analytical Methods: >99.0%
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71604-74-5 / 3-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline

Standard CAS: 71604-74-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
71604-74-5
Multi CAS
No
Molecular Formula
C15H19NO4
Molecular Weight
277.310000
Exact Mass
277.131408
InChI
InChI=1S/C15H19NO4/c1-2-11(4-12(3-1)17-9-15-10-20-15)16(5-13-7-18-13)6-14-8-19-14/h1-4,13-15H,5-10H2
InChIKey
VAGOJLCWTUPBKD-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
73.37
TPSA
50.06

LogP / Solubility

WLOGP
1.07
MLOGP
0.95
XLogP3
1.1
Consensus LogP
1.04
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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