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CAS 104883-48-9 3-AMINO-HEPTANOIC ACID molecular structure lightbox
CAS RN: 104883-48-9

3-AMINO-HEPTANOIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250216 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-006605
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 0.1g, 0.25g, 1g, 10g
  • Available purity: 97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 104883-48-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g 97% 1 In Stock Shanghai Inquiry
0.1g 97% 0 Out of Stock Shanghai Inquiry
0.25g 97% 0 Out of Stock Shanghai Inquiry
1g 97% 0 Out of Stock Hong Kong Inquiry
10g 97% 0 Out of Stock Shanghai Inquiry

104883-48-9 / 3-aminoheptanoic acid

(3S)-3-aminoheptanoic acid | (S)-3-Aminoheptanoicacid | (S)-3-Aminoheptanoic acid

Standard CAS: 104883-48-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
104883-48-9
Multi CAS
Yes
Molecular Formula
C7H15NO2
Molecular Weight
145.200000
Exact Mass
145.110279
SMILES
CCCCC(CC(=O)O)N
InChI
InChI=1S/C7H15NO2/c1-2-3-4-6(8)5-7(9)10/h6H,2-5,8H2,1H3,(H,9,10)
InChIKey
FUENJGFCFZKXBX-UHFFFAOYSA-N
Synonyms
(3S)-3-aminoheptanoic acid (S)-3-Aminoheptanoicacid (S)-3-Aminoheptanoic acid SCHEMBL288356 DS-019336

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
-1.6
Consensus LogP
0.08
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
Leadlikeness
No
Synthetic Accessibility
2

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