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CAS 278790-00-4 (R)-N-1-BOC-4-CBZ-2-PIPERAZINECARBOXYLIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 278790-00-4

(R)-N-1-BOC-4-CBZ-2-PIPERAZINECARBOXYLIC ACID METHYL ESTER

  • Product code: SSC-128298
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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 278790-00-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

278790-00-4 / 4-O-benzyl 1-O-tert-butyl 2-O-methyl piperazine-1,2,4-tricarboxylate

Standard CAS: 278790-00-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
278790-00-4
Multi CAS
Yes
Molecular Formula
C19H26N2O6
Molecular Weight
378.400000
Exact Mass
378.179087
InChI
InChI=1S/C19H26N2O6/c1-19(2,3)27-18(24)21-11-10-20(12-15(21)16(22)25-4)17(23)26-13-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3
InChIKey
JHEYLNAAOWKKBQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
96.94
TPSA
85.38

LogP / Solubility

WLOGP
2.42
MLOGP
2.15
XLogP3
2.2
Consensus LogP
2.26
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly 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)
-3.31

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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