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CAS 17437-21-7 15-Aminopentadecanoic acid molecular structure lightbox
CAS RN: 17437-21-7

15-Aminopentadecanoic acid

  • Product code: SSC-076505
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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: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 17437-21-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Shanghai Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

17437-21-7 / 15-aminopentadecanoic acid

Standard CAS: 17437-21-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17437-21-7
Multi CAS
No
Molecular Formula
C15H31NO2
Molecular Weight
257.410000
Exact Mass
257.235479
SMILES
C(CCCCCCCN)CCCCCCC(=O)O
InChI
InChI=1S/C15H31NO2/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h1-14,16H2,(H,17,18)
InChIKey
LDOUJNADNJHDOO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.93
Rotatable bonds
14
H-bond acceptors
2
H-bond donors
2
Molar refractivity
76.71
TPSA
63.32

LogP / Solubility

WLOGP
4.1
MLOGP
3.62
XLogP3
1.1
Consensus LogP
2.94
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.42
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.38

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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