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CAS 58117-53-6 H-Lys(Z)-NH2.HCl molecular structure lightbox
CAS RN: 58117-53-6

H-Lys(Z)-NH2.HCl

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250116 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-166351
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 58117-53-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

58117-53-6 / benzyl N-[(5S)-5,6-diamino-6-oxohexyl]carbamate;hydrochloride

Standard CAS: 58117-53-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58117-53-6
Multi CAS
Yes
Molecular Formula
C14H22CLN3O3
Molecular Weight
315.790000
Exact Mass
315.134969
InChI
InChI=1S/C14H21N3O3.ClH/c15-12(13(16)18)8-4-5-9-17-14(19)20-10-11-6-2-1-3-7-11;/h1-3,6-7,12H,4-5,8-10,15H2,(H2,16,18)(H,17,19);1H/t12-;/m0./s1
InChIKey
QSRGTPRDCDSKAY-YDALLXLXSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
3
Molar refractivity
82.9
TPSA
107.44

LogP / Solubility

WLOGP
1.32
MLOGP
1.17
XLogP3
1.32
Consensus LogP
1.27
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
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)
-3.71

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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