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CAS 1094555-70-0 Methyl 1-aMino-4-ethylcyclohexanecarboxylate molecular structure lightbox
CAS RN: 1094555-70-0

Methyl 1-aMino-4-ethylcyclohexanecarboxylate

  • Product code: SSC-010828
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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: ≥95%
  • 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 1094555-70-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1094555-70-0 / methyl 1-amino-4-ethylcyclohexane-1-carboxylate

Methyl 1-aMino-4-ethylcyclohexanecarboxylate | methyl 1-amino-4-ethylcyclohexane-1-carboxylate | MFCD11212028

Standard CAS: 1094555-70-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1094555-70-0
Multi CAS
No
Molecular Formula
C10H19NO2
Molecular Weight
185.260000
Exact Mass
185.141579
SMILES
CCC1CCC(CC1)(C(=O)OC)N
InChI
InChI=1S/C10H19NO2/c1-3-8-4-6-10(11,7-5-8)9(12)13-2/h8H,3-7,11H2,1-2H3
InChIKey
DQNFTVRKJDPGOJ-UHFFFAOYSA-N
Synonyms
Methyl 1-aMino-4-ethylcyclohexanecarboxylate methyl 1-amino-4-ethylcyclohexane-1-carboxylate MFCD11212028 methyl (1s,4r)-1-amino-4-ethylcyclohexane-1-carboxylate SCHEMBL1808250

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.18
TPSA
52.32

LogP / Solubility

WLOGP
1.46
MLOGP
1.28
XLogP3
1.6
Consensus LogP
1.45
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-2.82

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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