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CAS 25539-27-9 4-CHLOROCARBONYL-PIPERAZINE-1-CARBOXYLIC ACID BENZYL ESTER molecular structure lightbox
CAS RN: 25539-27-9

4-CHLOROCARBONYL-PIPERAZINE-1-CARBOXYLIC ACID BENZYL ESTER

  • Product code: SSC-121599
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 25539-27-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry

25539-27-9 / benzyl 4-carbonochloridoylpiperazine-1-carboxylate

Standard CAS: 25539-27-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25539-27-9
Multi CAS
No
Molecular Formula
C13H15ClN2O3
Molecular Weight
282.720000
Exact Mass
282.077120
InChI
InChI=1S/C13H15ClN2O3/c14-12(17)15-6-8-16(9-7-15)13(18)19-10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKey
LIOIUTGIECXTGX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
71.02
TPSA
49.85

LogP / Solubility

WLOGP
2.3
MLOGP
2.03
XLogP3
2
Consensus LogP
2.11
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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)
-2.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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