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CAS 2451065-67-9 N-(2-Aminoethyl)-N-benzylglycine Bis(trifluoroacetate) molecular structure lightbox
CAS RN: 2451065-67-9

N-(2-Aminoethyl)-N-benzylglycine Bis(trifluoroacetate)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250705 1g Out of stock 15 business days Inquiry
  • Product code: SSC-119165
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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 2451065-67-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2451065-67-9 / 2-[2-aminoethyl(benzyl)amino]acetic acid;bis(2,2,2-trifluoroacetic acid)

Standard CAS: 2451065-67-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2451065-67-9
Multi CAS
No
Molecular Formula
C15H18F6N2O6
Molecular Weight
436.300000
Exact Mass
436.106905
SMILES
C1=CC=C(C=C1)CN(CCN)CC(=O)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C11H16N2O2.2C2HF3O2/c12-6-7-13(9-11(14)15)8-10-4-2-1-3-5-10;2*3-2(4,5)1(6)7/h1-5H,6-9,12H2,(H,14,15);2*(H,6,7)
InChIKey
YMHUEIAHVSDMDK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
4
Molar refractivity
85.79
TPSA
141.16

LogP / Solubility

WLOGP
1.8
MLOGP
1.61
XLogP3
1.8
Consensus LogP
1.74
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.1

Drug-likeness / Medicinal Chemistry

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

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