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CAS 55480-45-0 3-(N-METHYLPIPERAZINE)-PROPAN-1-OIC ACID HYDROCHLORIDE SALT molecular structure lightbox
CAS RN: 55480-45-0

3-(N-METHYLPIPERAZINE)-PROPAN-1-OIC ACID HYDROCHLORIDE SALT

  • Product code: SSC-163398
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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, 0.1g, 0.25g, 5g, 25g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 55480-45-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Beijing Inquiry
0.1g >97% 2 In Stock Shanghai Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry
5g >97% 2 In Stock Hong Kong Inquiry
25g >97% 1 In Stock Shanghai Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry

55480-45-0 / 3-(4-methylpiperazin-1-yl)propanoic acid

Standard CAS: 55480-45-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55480-45-0
Multi CAS
No
Molecular Formula
C8H16N2O2
Molecular Weight
172.220000
Exact Mass
172.121178
InChI
InChI=1S/C8H16N2O2/c1-9-4-6-10(7-5-9)3-2-8(11)12/h2-7H2,1H3,(H,11,12)
InChIKey
JSHLMMUXJIDENZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.19
TPSA
43.78

LogP / Solubility

WLOGP
-0.29
MLOGP
-0.26
XLogP3
-2.7
Consensus LogP
-1.08
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.9
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.98

Drug-likeness / Medicinal Chemistry

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

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