[email protected]
CAS 2054345-69-4 Azide-PEG3-L-alanine-Fmoc molecular structure lightbox
CAS RN: 2054345-69-4

Azide-PEG3-L-alanine-Fmoc

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250923 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2054345-69-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2054345-69-4 / (2R)-3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Standard CAS: 2054345-69-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2054345-69-4
Multi CAS
No
Molecular Formula
C24H28N4O7
Molecular Weight
484.500000
Exact Mass
484.195799
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](COCCOCCOCCN=[N+]=[N-])C(=O)O
InChI
InChI=1S/C24H28N4O7/c25-28-26-9-10-32-11-12-33-13-14-34-16-22(23(29)30)27-24(31)35-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,21-22H,9-16H2,(H,27,31)(H,29,30)/t22-/m1/s1
InChIKey
YTHKPQSMRZQREU-JOCHJYFZSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
15
H-bond acceptors
7
H-bond donors
2
Molar refractivity
126.1
TPSA
152.08

LogP / Solubility

WLOGP
3.34
MLOGP
2.97
XLogP3
3.2
Consensus LogP
3.17
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.38
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us