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CAS 150571-28-1 Fmoc-L-Lys(Nvoc)-OH molecular structure lightbox
CAS RN: 150571-28-1

Fmoc-L-Lys(Nvoc)-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250801 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS150571-28-1
  • Purity/Analytical Methods: >99.0%
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150571-28-1 / (2S)-6-[(4,5-dimethoxy-2-nitrophenyl)methoxycarbonylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid

Standard CAS: 150571-28-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
150571-28-1
Multi CAS
No
Molecular Formula
C31H33N3O10
Molecular Weight
607.600000
Exact Mass
607.216594
SMILES
COC1=C(C=C(C(=C1)COC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)[N+](=O)[O-])OC
InChI
InChI=1S/C31H33N3O10/c1-41-27-15-19(26(34(39)40)16-28(27)42-2)17-43-30(37)32-14-8-7-13-25(29(35)36)33-31(38)44-18-24-22-11-5-3-9-20(22)21-10-4-6-12-23(21)24/h3-6,9-12,15-16,24-25H,7-8,13-14,17-18H2,1-2H3,(H,32,37)(H,33,38)(H,35,36)/t25-/m0/s1
InChIKey
UOEGMVQGRMCJDM-VWLOTQADSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
18
Fraction Csp3
0.32
Rotatable bonds
14
H-bond acceptors
9
H-bond donors
3
Molar refractivity
157.87
TPSA
175.56

LogP / Solubility

WLOGP
5
MLOGP
4.45
XLogP3
4.7
Consensus LogP
4.72
Log S (ESOL)
-6.14
Class (ESOL)
Insoluble
Log S (Ali)
-8.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.44
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)
-2.88

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

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