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CAS 179003-10-2 4-[3-(METHOXYCARBONYL)PHENYL]-1-PIPERAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER molecular structure lightbox
CAS RN: 179003-10-2

4-[3-(METHOXYCARBONYL)PHENYL]-1-PIPERAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250329 1g Out of stock 15 business days Inquiry
  • Product code: SSC-079727
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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 179003-10-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

179003-10-2 / tert-butyl 4-(3-methoxycarbonylphenyl)piperazine-1-carboxylate

Standard CAS: 179003-10-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
179003-10-2
Multi CAS
No
Molecular Formula
C17H24N2O4
Molecular Weight
320.400000
Exact Mass
320.173607
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC(=C2)C(=O)OC
InChI
InChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-10-8-18(9-11-19)14-7-5-6-13(12-14)15(20)22-4/h5-7,12H,8-11H2,1-4H3
InChIKey
PYTIXXARJFXCPJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
87.8
TPSA
59.08

LogP / Solubility

WLOGP
2.53
MLOGP
2.24
XLogP3
2.6
Consensus LogP
2.46
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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