[email protected]
CAS 17994-94-4 Methyl 7-aminoheptanoate molecular structure lightbox
CAS RN: 17994-94-4

Methyl 7-aminoheptanoate

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250525 100g In stock Shanghai Inquiry
Batchno.20260419 10g In stock Shanghai Inquiry
Batchno.20250302 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20251203 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
Batchno.20250608 25g In stock Shanghai Inquiry
Batchno.20250702 5g In stock Shanghai Inquiry
  • Product code: SSC-080258
GET A QUOTE
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: 1g, 5g, 10g, 100g, 25g, 500g
  • Available purity: ≥97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 17994-94-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Beijing Inquiry
5g ≥97% 3 In Stock Shanghai Inquiry
10g ≥97% 2 In Stock Hong Kong Inquiry
100g ≥97% 2 In Stock Shenzhen Inquiry
25g ≥97% 1 In Stock Hong Kong Inquiry
500g ≥97% 0 Out of Stock Shanghai Inquiry

17994-94-4 / methyl 7-aminoheptanoate;hydrochloride

Standard CAS: 17994-94-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17994-94-4
Multi CAS
No
Molecular Formula
C8H18ClNO2
Molecular Weight
195.690000
Exact Mass
195.102607
SMILES
COC(=O)CCCCCCN.Cl
InChI
InChI=1S/C8H17NO2.ClH/c1-11-8(10)6-4-2-3-5-7-9;/h2-7,9H2,1H3;1H
InChIKey
CHMAEAFFKRYPQT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.4
TPSA
52.32

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
1.49
Consensus LogP
1.43
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.86

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
1.5

Customers Also Viewed

Get In Touch

Contact Us