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CAS 116783-26-7 S-2-Aminoctanoic acid molecular structure lightbox
CAS RN: 116783-26-7

S-2-Aminoctanoic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251014 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-016698
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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: 5g
  • Available purity: ＞97%
  • 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 116783-26-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

116783-26-7 / (2S)-2-aminooctanoic acid

2-Aminooctanoic acid | dl-2-Aminocaprylic acid | Octanoic acid, 2-amino-

Standard CAS: 116783-26-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
116783-26-7
Multi CAS
Yes
Molecular Formula
C8H17NO2
Molecular Weight
159.230000
Exact Mass
159.125929
SMILES
CCCCCC[C@@H](C(=O)O)N
InChI
InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)/t7-/m0/s1
InChIKey
AKVBCGQVQXPRLD-ZETCQYMHSA-N
Synonyms
2-Aminooctanoic acid dl-2-Aminocaprylic acid Octanoic acid, 2-amino- (+-)-2-Aminooctanoic acid Caprylic acid, alpha-amino-

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.37
TPSA
63.32

LogP / Solubility

WLOGP
1.37
MLOGP
1.2
XLogP3
-0.5
Consensus LogP
0.69
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.55
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)
-2.72

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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