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CAS 1436-60-8 (1R,2R)-2-AMINO-CYCLOHEXANECARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 1436-60-8

(1R,2R)-2-AMINO-CYCLOHEXANECARBOXYLIC ACID ETHYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250305 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-055006
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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 1436-60-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1436-60-8 / trans-ethyl (1R,2R)-2-aminocyclohexane-1-carboxylate

Standard CAS: 1436-60-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1436-60-8
Multi CAS
No
Molecular Formula
C9H17NO2
Molecular Weight
171.240000
Exact Mass
171.125929
SMILES
CCOC(=O)[C@@H]1CCCC[C@H]1N
InChI
InChI=1S/C9H17NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7-8H,2-6,10H2,1H3/t7-,8-/m1/s1
InChIKey
VODUKXHGDCJEOZ-HTQZYQBOSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.57
TPSA
52.32

LogP / Solubility

WLOGP
1.07
MLOGP
0.94
XLogP3
1.5
Consensus LogP
1.17
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
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)
-3.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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