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CAS 1126433-42-8 FMOC-Tyr(tBu)-Bt molecular structure lightbox
CAS RN: 1126433-42-8

FMOC-Tyr(tBu)-Bt

  • Product code: SSC-012988
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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: 0.25g
  • 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 1126433-42-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1126433-42-8 / 9H-fluoren-9-ylmethyl N-[(2S)-1-(benzotriazol-1-yl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamate

Fmoc-Tyr(tBu)-Bt | MFCD11850165 | 9H-fluoren-9-ylmethyl N-[(2S)-1-(benzotriazol-1-yl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamate

Standard CAS: 1126433-42-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1126433-42-8
Multi CAS
Yes
Molecular Formula
C34H32N4O4
Molecular Weight
560.600000
Exact Mass
560.242356
SMILES
CC(C)(C)OC1=CC=C(C=C1)C[C@@H](C(=O)N2C3=CC=CC=C3N=N2)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C34H32N4O4/c1-34(2,3)42-23-18-16-22(17-19-23)20-30(32(39)38-31-15-9-8-14-29(31)36-37-38)35-33(40)41-21-28-26-12-6-4-10-24(26)25-11-5-7-13-27(25)28/h4-19,28,30H,20-21H2,1-3H3,(H,35,40)/t30-/m0/s1
InChIKey
CTIHIZJNLXMTHT-PMERELPUSA-N
Synonyms
Fmoc-Tyr(tBu)-Bt MFCD11850165 9H-fluoren-9-ylmethyl N-[(2S)-1-(benzotriazol-1-yl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamate (S)-1-(1H-Benzo[d][1,2,3]triazol-1-yl)-2-(Fmoc-amino)-3-[4-(tert-butoxy)phenyl]-1-propanone SCHEMBL29965985

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
27
Fraction Csp3
0.24
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
1
Molar refractivity
160.67
TPSA
95.34

LogP / Solubility

WLOGP
6.4
MLOGP
5.67
XLogP3
6.8
Consensus LogP
6.29
Log S (ESOL)
-7.36
Class (ESOL)
Insoluble
Log S (Ali)
-8.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.46
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.6

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6

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