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CAS 1128-00-3 2-AMINO-CYCLOHEX-1-ENECARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 1128-00-3

2-AMINO-CYCLOHEX-1-ENECARBOXYLIC ACID ETHYL ESTER

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250725 1g In stock Inquiry
Batchno.20250528 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
Batchno.20260228 250mg In stock Inquiry
Batchno.20260508 5g In stock Inquiry
  • Product code: SSC-013088
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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: 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 1128-00-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

1128-00-3 / ethyl 2-aminocyclohexene-1-carboxylate

ethyl 2-aminocyclohex-1-ene-1-carboxylate | DTXSID90310322 | RefChem:1084792

Standard CAS: 1128-00-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1128-00-3
Multi CAS
Yes
Molecular Formula
C9H15NO2
Molecular Weight
169.220000
Exact Mass
169.110279
SMILES
CCOC(=O)C1=C(CCCC1)N
InChI
InChI=1S/C9H15NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h2-6,10H2,1H3
InChIKey
JBZVWABPSHNPIK-UHFFFAOYSA-N
Synonyms
ethyl 2-aminocyclohex-1-ene-1-carboxylate DTXSID90310322 RefChem:1084792 DTXCID10261448 ethyl 2-aminocyclohex-1-enecarboxylate

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.31
TPSA
52.32

LogP / Solubility

WLOGP
1.34
MLOGP
1.17
XLogP3
1.8
Consensus LogP
1.44
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.11
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)
-2.8

Drug-likeness / Medicinal Chemistry

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

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