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CAS 185110-16-1 1-BOC-3-(3,4-DICHLOROPHENYL)PIPERAZINE molecular structure lightbox
CAS RN: 185110-16-1

1-BOC-3-(3,4-DICHLOROPHENYL)PIPERAZINE

  • Product code: SSC-085638
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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
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 185110-16-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Hong Kong Inquiry
0.25g >97% 5 In Stock Hong Kong Inquiry
1g >97% 5 In Stock Shanghai Inquiry

185110-16-1 / tert-butyl 3-(3,4-dichlorophenyl)piperazine-1-carboxylate

Standard CAS: 185110-16-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
185110-16-1
Multi CAS
No
Molecular Formula
C15H20Cl2N2O2
Molecular Weight
331.200000
Exact Mass
330.090183
SMILES
CC(C)(C)OC(=O)N1CCNC(C1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H20Cl2N2O2/c1-15(2,3)21-14(20)19-7-6-18-13(9-19)10-4-5-11(16)12(17)8-10/h4-5,8,13,18H,6-7,9H2,1-3H3
InChIKey
ADEHFOWFGHHJGT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
85.01
TPSA
41.57

LogP / Solubility

WLOGP
3.87
MLOGP
3.43
XLogP3
3.2
Consensus LogP
3.5
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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