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CAS 1662688-20-1 Fmoc-L-Lys[Oct-(otBu)-Glu-(otBu)-AEEA-AEEA]-OH molecular structure lightbox
CAS RN: 1662688-20-1

Fmoc-L-Lys[Oct-(otBu)-Glu-(otBu)-AEEA-AEEA]-OH

  • Product code: SSC-072580
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 10g, 25g, 5g
  • Available purity: >98%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1662688-20-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 2 In Stock Beijing Inquiry
0.25g >98% 2 In Stock Hong Kong Inquiry
1g >98% 2 In Stock Beijing Inquiry
10g >98% 2 In Stock Shenzhen Inquiry
25g >98% 2 In Stock Beijing Inquiry
5g >98% 1 In Stock Hong Kong Inquiry

1662688-20-1 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[2-[2-[2-[[2-[2-[2-[[(4S)-5-[(2-methylpropan-2-yl)oxy]-4-[[18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoyl]amino]-5-oxopentanoyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]hexanoic acid

Standard CAS: 1662688-20-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1662688-20-1
Multi CAS
No
Molecular Formula
C64H101N5O16
Molecular Weight
1196.500000
Exact Mass
1195.724332
SMILES
CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)OC(C)(C)C
InChI
InChI=1S/C64H101N5O16/c1-63(2,3)84-59(74)33-20-18-16-14-12-10-8-7-9-11-13-15-17-19-32-56(71)68-54(61(77)85-64(4,5)6)34-35-55(70)66-37-39-79-41-44-82-47-58(73)67-38-40-80-42-43-81-46-57(72)65-36-26-25-31-53(60(75)76)69-62(78)83-45-52-50-29-23-21-27-48(50)49-28-22-24-30-51(49)52/h21-24,27-30,52-54H,7-20,25-26,31-47H2,1-6H3,(H,65,72)(H,66,70)(H,67,73)(H,68,71)(H,69,78)(H,75,76)/t53-,54-/m0/s1
InChIKey
COTQASXXEXJBOM-PJYGOTMFSA-N

Computed Properties

Structural Parameters

Heavy atom count
85
Aromatic heavy atom count
12
Fraction Csp3
0.69
Rotatable bonds
47
H-bond acceptors
15
H-bond donors
6
Molar refractivity
322.51
TPSA
281.55

LogP / Solubility

WLOGP
8.75
MLOGP
7.82
XLogP3
9.7
Consensus LogP
8.76
Log S (ESOL)
-9.78
Class (ESOL)
Insoluble
Log S (Ali)
-15.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-20.34
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)
-3.8

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
5

Safety & Transport

GHS Hazard Statements
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501

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