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CAS 251103-43-2 FMOC-LYS(MEABZ-BOC)-OH molecular structure lightbox
CAS RN: 251103-43-2

FMOC-LYS(MEABZ-BOC)-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250106 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS251103-43-2
  • Purity/Analytical Methods: >99.0%
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251103-43-2 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoyl]amino]hexanoic acid

Standard CAS: 251103-43-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
251103-43-2
Multi CAS
No
Molecular Formula
C34H39N3O7
Molecular Weight
601.700000
Exact Mass
601.278801
SMILES
CC(C)(C)OC(=O)N(C)C1=CC=CC=C1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C34H39N3O7/c1-34(2,3)44-33(42)37(4)29-19-10-9-17-26(29)30(38)35-20-12-11-18-28(31(39)40)36-32(41)43-21-27-24-15-7-5-13-22(24)23-14-6-8-16-25(23)27/h5-10,13-17,19,27-28H,11-12,18,20-21H2,1-4H3,(H,35,38)(H,36,41)(H,39,40)/t28-/m0/s1
InChIKey
KQKHWDVZCOIJQI-NDEPHWFRSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
18
Fraction Csp3
0.35
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
3
Molar refractivity
166.89
TPSA
134.27

LogP / Solubility

WLOGP
5.95
MLOGP
5.28
XLogP3
5.5
Consensus LogP
5.58
Log S (ESOL)
-6.9
Class (ESOL)
Insoluble
Log S (Ali)
-8.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.83
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)
-2.17

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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