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CAS 26988-61-4 N-[S-Trityl-L-cysteinyl]glycine molecular structure lightbox
CAS RN: 26988-61-4

N-[S-Trityl-L-cysteinyl]glycine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250524 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS26988-61-4
  • Purity/Analytical Methods: >99.0%
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26988-61-4 / 2-[(2-amino-3-tritylsulfanylpropanoyl)amino]acetic acid

Standard CAS: 26988-61-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26988-61-4
Multi CAS
No
Molecular Formula
C24H24N2O3S
Molecular Weight
420.500000
Exact Mass
420.150764
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)NCC(=O)O)N
InChI
InChI=1S/C24H24N2O3S/c25-21(23(29)26-16-22(27)28)17-30-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17,25H2,(H,26,29)(H,27,28)/t21-/m0/s1
InChIKey
CQWAYRTZXZSUEP-NRFANRHFSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
3
Molar refractivity
120.29
TPSA
92.42

LogP / Solubility

WLOGP
3.24
MLOGP
2.88
XLogP3
1.3
Consensus LogP
2.47
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.16
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.98

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

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