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CAS 111061-54-2 Fmoc-Lys(Trt)-OH molecular structure lightbox
CAS RN: 111061-54-2

Fmoc-Lys(Trt)-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250801 250mg / 1g / 5g / 10g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-011940
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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: 5g
  • Available purity: ＞97%
  • 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 111061-54-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

111061-54-2 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(tritylamino)hexanoic acid

Fmoc-D-Lys(Trt)-OH | 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(tritylamino)hexanoic acid | Na-Fmoc-Ne-trityl-L-lysine

Standard CAS: 111061-54-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
111061-54-2
Multi CAS
Yes
Molecular Formula
C40H38N2O4
Molecular Weight
610.700000
Exact Mass
610.283158
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NCCCC[C@@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C40H38N2O4/c43-38(44)37(42-39(45)46-28-36-34-24-12-10-22-32(34)33-23-11-13-25-35(33)36)26-14-15-27-41-40(29-16-4-1-5-17-29,30-18-6-2-7-19-30)31-20-8-3-9-21-31/h1-13,16-25,36-37,41H,14-15,26-28H2,(H,42,45)(H,43,44)/t37-/m0/s1
InChIKey
CEOOTQDKDICVJW-QNGWXLTQSA-N
Synonyms
Fmoc-D-Lys(Trt)-OH 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(tritylamino)hexanoic acid Na-Fmoc-Ne-trityl-L-lysine SCHEMBL12527832 SCHEMBL31614333

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
30
Fraction Csp3
0.2
Rotatable bonds
13
H-bond acceptors
4
H-bond donors
3
Molar refractivity
180.69
TPSA
87.66

LogP / Solubility

WLOGP
7.73
MLOGP
6.85
XLogP3
5.7
Consensus LogP
6.76
Log S (ESOL)
-8.12
Class (ESOL)
Insoluble
Log S (Ali)
-10.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.61
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.96

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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