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CAS 18257-46-0 PentaniMidaMide Hydrochloride molecular structure lightbox
CAS RN: 18257-46-0

PentaniMidaMide Hydrochloride

  • Product code: SSC-084544
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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: 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • 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 18257-46-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry

18257-46-0 / pentanimidamide;hydrochloride

Standard CAS: 18257-46-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18257-46-0
Multi CAS
No
Molecular Formula
C5H13ClN2
Molecular Weight
136.620000
Exact Mass
136.076726
SMILES
CCCCC(=N)N.Cl
InChI
InChI=1S/C5H12N2.ClH/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H3,6,7);1H
InChIKey
FFHQVTXPIOPINO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
2
Molar refractivity
38.69
TPSA
49.87

LogP / Solubility

WLOGP
1.53
MLOGP
1.34
XLogP3
1.53
Consensus LogP
1.47
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.18
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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