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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
17437-20-6 / 14-aminotetradecanoic acid
Basic Information
CAS
17437-20-6
Multi CAS
No
Molecular Formula
C14H29NO2
Molecular Weight
243.390000
Exact Mass
243.219829
SMILES
C(CCCCCCC(=O)O)CCCCCCN
InChI
InChI=1S/C14H29NO2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h1-13,15H2,(H,16,17)
InChIKey
SWTNRXKFJNGFRF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.93
Rotatable bonds
13
H-bond acceptors
2
H-bond donors
2
Molar refractivity
72.09
TPSA
63.32
LogP / Solubility
WLOGP
3.71
MLOGP
3.27
XLogP3
0.6
Consensus LogP
2.53
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.88
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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