[email protected]
CAS 1454817-57-2 N-Fmoc-3-(2-propyn-1-yloxy)-L-phenylalanine molecular structure lightbox
CAS RN: 1454817-57-2

N-Fmoc-3-(2-propyn-1-yloxy)-L-phenylalanine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250329 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1454817-57-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1454817-57-2 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-prop-2-ynoxyphenyl)propanoic acid

Standard CAS: 1454817-57-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1454817-57-2
Multi CAS
No
Molecular Formula
C27H23NO5
Molecular Weight
441.500000
Exact Mass
441.157623
SMILES
C#CCOC1=CC=CC(=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C27H23NO5/c1-2-14-32-19-9-7-8-18(15-19)16-25(26(29)30)28-27(31)33-17-24-22-12-5-3-10-20(22)21-11-4-6-13-23(21)24/h1,3-13,15,24-25H,14,16-17H2,(H,28,31)(H,29,30)/t25-/m0/s1
InChIKey
NLBOBVFYZGTQJJ-VWLOTQADSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.19
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
124.1
TPSA
84.86

LogP / Solubility

WLOGP
4.23
MLOGP
3.75
XLogP3
4.7
Consensus LogP
4.23
Log S (ESOL)
-5.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7
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)
-2.41

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

Customers Also Viewed

Get In Touch

Contact Us