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: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1156807-77-0 / 1-nonylpiperidine-4-carboxylic acid
1-nonylpiperidine-4-carboxylic acid | MFCD12069720 | 1-Nonylpiperidin-4-carboxylic acid
Basic Information
CAS
1156807-77-0
Multi CAS
No
Molecular Formula
C15H29NO2
Molecular Weight
255.400000
Exact Mass
255.219829
SMILES
CCCCCCCCCN1CCC(CC1)C(=O)O
InChI
InChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-11-16-12-9-14(10-13-16)15(17)18/h14H,2-13H2,1H3,(H,17,18)
InChIKey
COYJNOAKICGPDS-UHFFFAOYSA-N
Synonyms
1-nonylpiperidine-4-carboxylic acid
MFCD12069720
1-Nonylpiperidin-4-carboxylic acid
1-nonylpiperidine-4-carboxylicacid
SCHEMBL31549853
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.93
Rotatable bonds
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
74.79
TPSA
40.54
LogP / Solubility
WLOGP
3.53
MLOGP
3.12
XLogP3
2
Consensus LogP
2.88
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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