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CAS 18514-46-0 N-(TRIPHENYLMETHYL)GLYCINE ETHYL ESTER molecular structure lightbox
CAS RN: 18514-46-0

N-(TRIPHENYLMETHYL)GLYCINE ETHYL ESTER

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Batchno.20260602 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS18514-46-0
  • Purity/Analytical Methods: >99.0%
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18514-46-0 / ethyl 2-(tritylamino)acetate

Standard CAS: 18514-46-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18514-46-0
Multi CAS
No
Molecular Formula
C23H23NO2
Molecular Weight
345.400000
Exact Mass
345.172879
SMILES
CCOC(=O)CNC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H23NO2/c1-2-26-22(25)18-24-23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,24H,2,18H2,1H3
InChIKey
CAFYNMFIEFNYRA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
103.84
TPSA
38.33

LogP / Solubility

WLOGP
4.13
MLOGP
3.65
XLogP3
4.8
Consensus LogP
4.19
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.17
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.89

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
2.5

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P316, P321, P330, P405, and P501

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