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CAS 156917-23-6 H-D-LYS(Z)-OBZL HCL molecular structure lightbox
CAS RN: 156917-23-6

H-D-LYS(Z)-OBZL HCL

  • Product code: SSC-066182
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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: ＞97%
  • 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 156917-23-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

156917-23-6 / benzyl (2R)-2-amino-6-(phenylmethoxycarbonylamino)hexanoate;hydrochloride

Standard CAS: 156917-23-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
156917-23-6
Multi CAS
No
Molecular Formula
C21H27ClN2O4
Molecular Weight
406.900000
Exact Mass
406.165935
SMILES
C1=CC=C(C=C1)COC(=O)[C@@H](CCCCNC(=O)OCC2=CC=CC=C2)N.Cl
InChI
InChI=1S/C21H26N2O4.ClH/c22-19(20(24)26-15-17-9-3-1-4-10-17)13-7-8-14-23-21(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-;/m1./s1
InChIKey
XHBTZNKKLKICJY-FSRHSHDFSA-N

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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