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CAS 4751-72-8 6-Amino-2-propylhexanoic acid molecular structure lightbox
CAS RN: 4751-72-8

6-Amino-2-propylhexanoic acid

  • Product code: SSC-154477
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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: 0.25g
  • 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 4751-72-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

4751-72-8 / 6-amino-2-propylhexanoic acid

Standard CAS: 4751-72-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4751-72-8
Multi CAS
No
Molecular Formula
C9H19NO2
Molecular Weight
173.250000
Exact Mass
173.141579
InChI
InChI=1S/C9H19NO2/c1-2-5-8(9(11)12)6-3-4-7-10/h8H,2-7,10H2,1H3,(H,11,12)
InChIKey
UGFGCJUZRJTFST-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.94
TPSA
63.32

LogP / Solubility

WLOGP
1.62
MLOGP
1.42
XLogP3
-1
Consensus LogP
0.68
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
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)
-2.63

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
2

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