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CAS 234082-16-7 Methyl 3-Chloro-4-piperazinobenzoate molecular structure lightbox
CAS RN: 234082-16-7

Methyl 3-Chloro-4-piperazinobenzoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260407 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-113154
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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, 1g, 0.25g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • 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 234082-16-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry
5g ≥95% 2 In Stock Hong Kong Inquiry
10g ≥95% 2 In Stock Shanghai Inquiry
25g ≥95% 2 In Stock Shanghai Inquiry

234082-16-7 / methyl 3-chloro-4-piperazin-1-ylbenzoate

Standard CAS: 234082-16-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
234082-16-7
Multi CAS
No
Molecular Formula
C12H15ClN2O2
Molecular Weight
254.710000
Exact Mass
254.082205
SMILES
COC(=O)C1=CC(=C(C=C1)N2CCNCC2)Cl
InChI
InChI=1S/C12H15ClN2O2/c1-17-12(16)9-2-3-11(10(13)8-9)15-6-4-14-5-7-15/h2-3,8,14H,4-7H2,1H3
InChIKey
YXNWWDUBAHLVBO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.87
TPSA
41.57

LogP / Solubility

WLOGP
1.54
MLOGP
1.36
XLogP3
1.9
Consensus LogP
1.6
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately 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)
-3.18

Drug-likeness / Medicinal Chemistry

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

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