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CAS 145586-17-0 H-D-LYS(Z)-OME HCL molecular structure lightbox
CAS RN: 145586-17-0

H-D-LYS(Z)-OME HCL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260609 25g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS145586-17-0
  • Purity/Analytical Methods: >99.0%
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145586-17-0 / methyl (2R)-2-amino-6-(phenylmethoxycarbonylamino)hexanoate

Standard CAS: 145586-17-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
145586-17-0
Multi CAS
No
Molecular Formula
C15H22N2O4
Molecular Weight
294.350000
Exact Mass
294.157957
SMILES
COC(=O)[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)N
InChI
InChI=1S/C15H22N2O4/c1-20-14(18)13(16)9-5-6-10-17-15(19)21-11-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11,16H2,1H3,(H,17,19)/t13-/m1/s1
InChIKey
RQDDIHNPUSEQFX-CYBMUJFWSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
78.47
TPSA
90.65

LogP / Solubility

WLOGP
1.58
MLOGP
1.4
XLogP3
1.5
Consensus LogP
1.49
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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)
-3.39

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
3

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