CAS RN: 25726-28-7
5-(DIMETHYLAMINO)-PENTANOIC ACID HYDROCHLORIDE
- Product code: SSC-122188
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, 0.25g, 100g, 25g
- Available purity: >95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >95% | 5 In Stock | Beijing | Inquiry |
| 5g | >95% | 4 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 3 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 2 In Stock | Beijing | Inquiry |
| 100g | >95% | 2 In Stock | Beijing | Inquiry |
| 25g | >95% | 1 In Stock | Hong Kong | Inquiry |
25726-28-7 / 5-(dimethylamino)pentanoic acid;hydrochloride
Basic Information
CAS
25726-28-7
Multi CAS
No
Molecular Formula
C7H16ClNO2
Molecular Weight
181.660000
Exact Mass
181.086956
SMILES
CN(C)CCCCC(=O)O.Cl
InChI
InChI=1S/C7H15NO2.ClH/c1-8(2)6-4-3-5-7(9)10;/h3-6H2,1-2H3,(H,9,10);1H
InChIKey
HOHQBFGGPNOAFB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.29
TPSA
40.54
LogP / Solubility
WLOGP
1.22
MLOGP
1.08
XLogP3
1.22
Consensus LogP
1.17
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.46
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)
-2.96
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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