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CAS 1493802-95-1 Click Amino Acid / endo-BCN – Fmoc – L – Lysine (BCN) molecular structure lightbox
CAS RN: 1493802-95-1

Click Amino Acid / endo-BCN – Fmoc – L – Lysine (BCN)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260503 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1493802-95-1
  • Purity/Analytical Methods: >99.0%
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1493802-95-1 / (2S)-6-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid

Standard CAS: 1493802-95-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1493802-95-1
Multi CAS
No
Molecular Formula
C32H36N2O6
Molecular Weight
544.600000
Exact Mass
544.257337
SMILES
C1C[C@@H]2[C@@H](C2COC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)CCC#C1
InChI
InChI=1S/C32H36N2O6/c35-30(36)29(17-9-10-18-33-31(37)39-19-27-25-11-3-1-2-4-12-26(25)27)34-32(38)40-20-28-23-15-7-5-13-21(23)22-14-6-8-16-24(22)28/h5-8,13-16,25-29H,3-4,9-12,17-20H2,(H,33,37)(H,34,38)(H,35,36)/t25-,26+,27?,29-/m0/s1
InChIKey
SIGNVLQONFQEFM-JYZUEOAFSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
12
Fraction Csp3
0.47
Rotatable bonds
11
H-bond acceptors
5
H-bond donors
3
Molar refractivity
149.54
TPSA
113.96

LogP / Solubility

WLOGP
5.31
MLOGP
4.72
XLogP3
5.9
Consensus LogP
5.31
Log S (ESOL)
-6.06
Class (ESOL)
Insoluble
Log S (Ali)
-7.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.93
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-2.27

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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