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CAS 25931-47-9 POLY-EPSILON-CBZ-L-LYSINE molecular structure lightbox
CAS RN: 25931-47-9

POLY-EPSILON-CBZ-L-LYSINE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251110 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS25931-47-9
  • Purity/Analytical Methods: >99.0%
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25931-47-9 / 2-amino-6-(phenylmethoxycarbonylamino)hexanoic acid

Standard CAS: 25931-47-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25931-47-9
Multi CAS
No
Molecular Formula
C14H20N2O4
Molecular Weight
280.320000
Exact Mass
280.142307
SMILES
C1=CC=C(C=C1)COC(=O)NCCCCC(C(=O)O)N
InChI
InChI=1S/C14H20N2O4/c15-12(13(17)18)8-4-5-9-16-14(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,19)(H,17,18)
InChIKey
CKGCFBNYQJDIGS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
3
Molar refractivity
74.09
TPSA
101.65

LogP / Solubility

WLOGP
1.5
MLOGP
1.33
XLogP3
-1.1
Consensus LogP
0.58
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.68
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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