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CAS 180576-05-0 4-Fmoc-1-piperazineacetic acid hydrate molecular structure lightbox
CAS RN: 180576-05-0

4-Fmoc-1-piperazineacetic acid hydrate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250406 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250825 250mg In stock Shanghai Inquiry
Batchno.20251227 25g In stock Shanghai, Wuhan Inquiry
Batchno.20260508 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-081545
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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: 1g, 5g, 10g, 25g
  • Available purity: >98%
  • 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 180576-05-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Shenzhen Inquiry
5g >98% 4 In Stock Shanghai Inquiry
10g >98% 3 In Stock Beijing Inquiry
25g >98% 0 Out of Stock Shenzhen Inquiry

180576-05-0 / 2-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]acetic acid

Standard CAS: 180576-05-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
180576-05-0
Multi CAS
No
Molecular Formula
C21H22N2O4
Molecular Weight
366.400000
Exact Mass
366.157957
SMILES
C1CN(CCN1CC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H22N2O4/c24-20(25)13-22-9-11-23(12-10-22)21(26)27-14-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-14H2,(H,24,25)
InChIKey
XNWPGFGLHGFRRP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
100.72
TPSA
70.08

LogP / Solubility

WLOGP
2.64
MLOGP
2.34
XLogP3
0.4
Consensus LogP
1.79
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.08

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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