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CAS 160158-05-4 Fmoc-Lys(biotinyl-e-aminocaproyl)-OH molecular structure lightbox
CAS RN: 160158-05-4

Fmoc-Lys(biotinyl-e-aminocaproyl)-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250110 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS160158-05-4
  • Purity/Analytical Methods: >99.0%
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160158-05-4 / (2S)-6-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid

Standard CAS: 160158-05-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
160158-05-4
Multi CAS
No
Molecular Formula
C37H49N5O7S
Molecular Weight
707.900000
Exact Mass
707.335270
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)NC(=O)N2
InChI
InChI=1S/C37H49N5O7S/c43-32(18-2-1-10-20-38-33(44)19-8-7-17-31-34-30(23-50-31)40-36(47)42-34)39-21-11-9-16-29(35(45)46)41-37(48)49-22-28-26-14-5-3-12-24(26)25-13-4-6-15-27(25)28/h3-6,12-15,28-31,34H,1-2,7-11,16-23H2,(H,38,44)(H,39,43)(H,41,48)(H,45,46)(H2,40,42,47)/t29-,30-,31-,34-/m0/s1
InChIKey
SLWMKSMUFPMDKA-MEROQGEASA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
12
Fraction Csp3
0.54
Rotatable bonds
20
H-bond acceptors
7
H-bond donors
6
Molar refractivity
191.92
TPSA
174.96

LogP / Solubility

WLOGP
4.67
MLOGP
4.17
XLogP3
3.9
Consensus LogP
4.25
Log S (ESOL)
-6.03
Class (ESOL)
Insoluble
Log S (Ali)
-8.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.54
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)
-3.72

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
7

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