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CAS 159751-47-0 FMOC-AAD(OTBU)-OH molecular structure lightbox
CAS RN: 159751-47-0

FMOC-AAD(OTBU)-OH

  • Product code: SSC-067723
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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: 0.25g, 1g, 5g, 10g, 25g, 100g, 0.1g
  • Available purity: >97%
  • Inventory rows with stock: 12
  • 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 159751-47-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g -- 5 In Stock Shanghai Inquiry
1g -- 5 In Stock Beijing Inquiry
5g -- 5 In Stock Beijing Inquiry
5g >97% 5 In Stock Beijing Inquiry
10g -- 5 In Stock Shanghai Inquiry
25g -- 5 In Stock Shenzhen Inquiry
1g >97% 4 In Stock Hong Kong Inquiry
10g >97% 4 In Stock Shanghai Inquiry
100g -- 2 In Stock Beijing Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
25g >97% 1 In Stock Hong Kong Inquiry
100g >97% 0 Out of Stock Shenzhen Inquiry

159751-47-0 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoic acid

Standard CAS: 159751-47-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
159751-47-0
Multi CAS
No
Molecular Formula
C25H29NO6
Molecular Weight
439.500000
Exact Mass
439.199488
SMILES
CC(C)(C)OC(=O)CCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C25H29NO6/c1-25(2,3)32-22(27)14-8-13-21(23(28)29)26-24(30)31-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20-21H,8,13-15H2,1-3H3,(H,26,30)(H,28,29)/t21-/m0/s1
InChIKey
FFLAQPKWVSSKJC-NRFANRHFSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
119.32
TPSA
101.93

LogP / Solubility

WLOGP
4.49
MLOGP
3.98
XLogP3
4.2
Consensus LogP
4.22
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.2
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)
-2.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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