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CAS 101214-22-6 FMOC-GLU(OTBU)-OSU molecular structure lightbox
CAS RN: 101214-22-6

FMOC-GLU(OTBU)-OSU

  • Product code: SSC-002059
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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: 1g, 5g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 101214-22-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 2 In Stock Hong Kong Inquiry
5g >97% 2 In Stock Beijing Inquiry
10g >97% 2 In Stock Hong Kong Inquiry
25g >97% 2 In Stock Shanghai Inquiry
100g >97% 2 In Stock Hong Kong Inquiry

101214-22-6 / 5-O-tert-butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanedioate

Fmoc-Glu(Otbu)-Osu | MFCD00235812 | (S)-5-tert-Butyl 1-(2,5-dioxopyrrolidin-1-yl) 2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)pentanedioate

Standard CAS: 101214-22-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
101214-22-6
Multi CAS
Yes
Molecular Formula
C28H30N2O8
Molecular Weight
522.500000
Exact Mass
522.200216
SMILES
CC(C)(C)OC(=O)CC[C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C28H30N2O8/c1-28(2,3)37-25(33)15-12-22(26(34)38-30-23(31)13-14-24(30)32)29-27(35)36-16-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,21-22H,12-16H2,1-3H3,(H,29,35)/t22-/m0/s1
InChIKey
TUXJIYSGLYYEHH-QFIPXVFZSA-N
Synonyms
Fmoc-Glu(Otbu)-Osu MFCD00235812 (S)-5-tert-Butyl 1-(2,5-dioxopyrrolidin-1-yl) 2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)pentanedioate 5-O-tert-butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanedioate Fmoc-L-Glu(OtBu)-OSu

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
1
Molar refractivity
134.25
TPSA
128.31

LogP / Solubility

WLOGP
3.62
MLOGP
3.23
XLogP3
3.3
Consensus LogP
3.38
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.02
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-3.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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