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CAS 1128181-23-6 Nα-[(9H-Fluoren-9-ylmethoxy)carbonyl]-Nε-tetradecanoyl-L-lysine molecular structure lightbox
CAS RN: 1128181-23-6

Nα-[(9H-Fluoren-9-ylmethoxy)carbonyl]-Nε-tetradecanoyl-L-lysine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250213 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-013125
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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: 1g
  • Available purity: >98%
  • 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 1128181-23-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 0 Out of Stock Beijing Inquiry

1128181-23-6 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(tetradecanoylamino)hexanoic acid

Nalpha-[(9H-Fluoren-9-ylmethoxy)carbonyl]-Nepsilon-tetradecanoyl-L-lysine | Fmoc-Lys(Myr)-OH | MFCD30725756

Standard CAS: 1128181-23-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1128181-23-6
Multi CAS
Yes
Molecular Formula
C35H50N2O5
Molecular Weight
578.800000
Exact Mass
578.371973
SMILES
CCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C35H50N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-24-33(38)36-25-18-17-23-32(34(39)40)37-35(41)42-26-31-29-21-15-13-19-27(29)28-20-14-16-22-30(28)31/h13-16,19-22,31-32H,2-12,17-18,23-26H2,1H3,(H,36,38)(H,37,41)(H,39,40)/t32-/m0/s1
InChIKey
PNXSYZSEFDFTDZ-YTTGMZPUSA-N
Synonyms
Nalpha-[(9H-Fluoren-9-ylmethoxy)carbonyl]-Nepsilon-tetradecanoyl-L-lysine Fmoc-Lys(Myr)-OH MFCD30725756 (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(tetradecanoylamino)hexanoic acid Nalpha-Fmoc-Nepsilon-tetradecanoyl-L-lysine

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
12
Fraction Csp3
0.57
Rotatable bonds
21
H-bond acceptors
4
H-bond donors
3
Molar refractivity
167.57
TPSA
104.73

LogP / Solubility

WLOGP
7.97
MLOGP
7.06
XLogP3
9.3
Consensus LogP
8.11
Log S (ESOL)
-7.27
Class (ESOL)
Insoluble
Log S (Ali)
-10.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.55
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.59

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
4.5

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