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CAS 1115-90-8 2-AMINOHEPTANOIC ACID molecular structure lightbox
CAS RN: 1115-90-8

2-AMINOHEPTANOIC ACID

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260328 1g In stock Inquiry
Batchno.20250927 200mg Out of stock Inquiry
Batchno.20260110 250mg In stock Inquiry
Batchno.20251121 5g In stock Inquiry
  • Product code: SSC-012204
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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: 1g
  • 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 1115-90-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

1115-90-8 / 2-aminoheptanoic acid

2-Aminoheptanoic acid | CHEBI:64304 | RefChem:1062243

Standard CAS: 1115-90-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1115-90-8
Multi CAS
Yes
Molecular Formula
C7H15NO2
Molecular Weight
145.200000
Exact Mass
145.110279
SMILES
CCCCCC(C(=O)O)N
InChI
InChI=1S/C7H15NO2/c1-2-3-4-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)
InChIKey
RDFMDVXONNIGBC-UHFFFAOYSA-N
Synonyms
2-Aminoheptanoic acid CHEBI:64304 RefChem:1062243 dl-2-aminoheptanoic acid 2-amino-heptanoic acid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.75
TPSA
63.32

LogP / Solubility

WLOGP
0.98
MLOGP
0.85
XLogP3
-1
Consensus LogP
0.28
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
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)
-2.91

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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