CAS RN: 183429-63-2
METHYL 1-AMINO-1-CYCLOHEPTANECARBOXYLATE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250818 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS183429-63-2
- Purity/Analytical Methods: >99.0%
183429-63-2 / methyl 1-aminocycloheptane-1-carboxylate
Basic Information
CAS
183429-63-2
Multi CAS
No
Molecular Formula
C9H17NO2
Molecular Weight
171.240000
Exact Mass
171.125929
SMILES
COC(=O)C1(CCCCCC1)N
InChI
InChI=1S/C9H17NO2/c1-12-8(11)9(10)6-4-2-3-5-7-9/h2-7,10H2,1H3
InChIKey
GPZHQNYVDQMZDP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.64
TPSA
52.32
LogP / Solubility
WLOGP
1.21
MLOGP
1.06
XLogP3
1.3
Consensus LogP
1.19
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.84
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)
-2.9
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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