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CAS 114331-06-5 H-LYS(Z)-OBZL HCL molecular structure lightbox
CAS RN: 114331-06-5

H-LYS(Z)-OBZL HCL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260615 5g Out of stock 15 business days Inquiry
  • Product code: SSC-014155
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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: 5g
  • 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 114331-06-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

114331-06-5 / benzyl (2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanoate;hydrochloride

[(2S)-1-oxo-1-phenylmethoxy-6-(phenylmethoxycarbonylamino)hexan-2-yl]azanium;chloride

Standard CAS: 114331-06-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
114331-06-5
Multi CAS
Yes
Molecular Formula
C21H27ClN2O4
Molecular Weight
406.900000
Exact Mass
406.165935
SMILES
C1=CC=C(C=C1)COC(=O)[C@H](CCCCN)NC(=O)OCC2=CC=CC=C2.Cl
InChI
InChI=1S/C21H26N2O4.ClH/c22-14-8-7-13-19(20(24)26-15-17-9-3-1-4-10-17)23-21(25)27-16-18-11-5-2-6-12-18;/h1-6,9-12,19H,7-8,13-16,22H2,(H,23,25);1H/t19-;/m0./s1
InChIKey
NQNHFACGLZRKJY-FYZYNONXSA-N
Synonyms
[(2S)-1-oxo-1-phenylmethoxy-6-(phenylmethoxycarbonylamino)hexan-2-yl]azanium;chloride

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
2
Molar refractivity
109.94
TPSA
90.65

LogP / Solubility

WLOGP
3.58
MLOGP
3.17
XLogP3
3.58
Consensus LogP
3.44
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.47
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.66

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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