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CAS 118584-90-0 FMOC-L-LYS(DANSYL)-OH molecular structure lightbox
CAS RN: 118584-90-0

FMOC-L-LYS(DANSYL)-OH

  • Product code: SSC-018426
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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: >95%
  • 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 118584-90-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

118584-90-0 / (2S)-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid

Fmoc-Lys(Dansyl)-OH | Fmoc-L-Lys(Dansyl)-OH | N2-(((9H-fluoren-9-yl)methoxy)carbonyl)-N6-((5-(dimethylamino)naphthalen-1-yl)sulfonyl)-L-lysine

Standard CAS: 118584-90-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
118584-90-0
Multi CAS
Yes
Molecular Formula
C33H35N3O6S
Molecular Weight
601.700000
Exact Mass
601.224657
SMILES
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C33H35N3O6S/c1-36(2)30-18-9-16-27-26(30)15-10-19-31(27)43(40,41)34-20-8-7-17-29(32(37)38)35-33(39)42-21-28-24-13-5-3-11-22(24)23-12-4-6-14-25(23)28/h3-6,9-16,18-19,28-29,34H,7-8,17,20-21H2,1-2H3,(H,35,39)(H,37,38)/t29-/m0/s1
InChIKey
SLBNIPMLSUPCFW-LJAQVGFWSA-N
Synonyms
Fmoc-Lys(Dansyl)-OH Fmoc-L-Lys(Dansyl)-OH N2-(((9H-fluoren-9-yl)methoxy)carbonyl)-N6-((5-(dimethylamino)naphthalen-1-yl)sulfonyl)-L-lysine MFCD00672343 (2S)-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
22
Fraction Csp3
0.27
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
3
Molar refractivity
166.94
TPSA
125.04

LogP / Solubility

WLOGP
5.35
MLOGP
4.75
XLogP3
5.8
Consensus LogP
5.3
Log S (ESOL)
-6.53
Class (ESOL)
Insoluble
Log S (Ali)
-8.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.45
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-2.59

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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