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CAS 105974-64-9 tert-butyl 7-aMinoheptanoate hydrochloride molecular structure lightbox
CAS RN: 105974-64-9

tert-butyl 7-aMinoheptanoate hydrochloride

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260531 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251204 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-007615
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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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • 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 105974-64-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Beijing Inquiry
10g >95% 1 In Stock Beijing Inquiry
25g >95% 1 In Stock Shenzhen Inquiry

105974-64-9 / tert-butyl 7-aminoheptanoate

tert-butyl 7-aminoheptanoate | Heptanoic acid, 7-amino-, 1,1-dimethylethyl ester | MFCD12804784

Standard CAS: 105974-64-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
105974-64-9
Multi CAS
No
Molecular Formula
C11H23NO2
Molecular Weight
201.310000
Exact Mass
201.172879
SMILES
CC(C)(C)OC(=O)CCCCCCN
InChI
InChI=1S/C11H23NO2/c1-11(2,3)14-10(13)8-6-4-5-7-9-12/h4-9,12H2,1-3H3
InChIKey
IIALHJIMGXLAJI-UHFFFAOYSA-N
Synonyms
tert-butyl 7-aminoheptanoate Heptanoic acid, 7-amino-, 1,1-dimethylethyl ester MFCD12804784 7-Aminoheptanoic acid tert-butyl ester 6-Boc-1-aminohexane

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.91
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.98
TPSA
52.32

LogP / Solubility

WLOGP
2.24
MLOGP
1.97
XLogP3
1.7
Consensus LogP
1.97
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly 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)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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