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CAS 1168-87-2 Z-ALA-ONP molecular structure lightbox
CAS RN: 1168-87-2

Z-ALA-ONP

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250630 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-016706
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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: ＞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 1168-87-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

1168-87-2 / (4-nitrophenyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate

N-Carbobenzoxyalanine 4-nitrophenyl ester | N-CBzAla NPE | RefChem:163088

Standard CAS: 1168-87-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1168-87-2
Multi CAS
Yes
Molecular Formula
C17H16N2O6
Molecular Weight
344.320000
Exact Mass
344.100836
SMILES
C[C@@H](C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C17H16N2O6/c1-12(18-17(21)24-11-13-5-3-2-4-6-13)16(20)25-15-9-7-14(8-10-15)19(22)23/h2-10,12H,11H2,1H3,(H,18,21)/t12-/m0/s1
InChIKey
SXWWICLSRXPNNW-LBPRGKRZSA-N
Synonyms
N-Carbobenzoxyalanine 4-nitrophenyl ester N-CBzAla NPE RefChem:163088 (4-nitrophenyl) 2-(phenylmethoxycarbonylamino)propanoate SCHEMBL10794620

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
87.96
TPSA
107.77

LogP / Solubility

WLOGP
2.82
MLOGP
2.49
XLogP3
3.1
Consensus LogP
2.8
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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