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CAS 392332-17-1 1-N-CBZ-piperazine-2-carboxylic acid Methyl ester-HCl molecular structure lightbox
CAS RN: 392332-17-1

1-N-CBZ-piperazine-2-carboxylic acid Methyl ester-HCl

  • Product code: SSC-146923
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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 392332-17-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

392332-17-1 / 1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate;hydrochloride

Standard CAS: 392332-17-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
392332-17-1
Multi CAS
No
Molecular Formula
C14H19CLN2O4
Molecular Weight
314.760000
Exact Mass
314.103335
InChI
InChI=1S/C14H18N2O4.ClH/c1-19-13(17)12-9-15-7-8-16(12)14(18)20-10-11-5-3-2-4-6-11;/h2-6,12,15H,7-10H2,1H3;1H
InChIKey
QRUPZPVVRPOJKT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
79.25
TPSA
67.87

LogP / Solubility

WLOGP
1.19
MLOGP
1.06
XLogP3
1.19
Consensus LogP
1.15
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.79

Drug-likeness / Medicinal Chemistry

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

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