CAS RN: 175867-59-1
Cyclohexanecarboxylic acid, 4-amino-, methyl ester (9CI)
- Product code: SSC-077102
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: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
175867-59-1 / methyl 4-aminocyclohexane-1-carboxylate
Basic Information
CAS
175867-59-1
Multi CAS
No
Molecular Formula
C8H15NO2
Molecular Weight
157.210000
Exact Mass
157.110279
SMILES
COC(=O)C1CCC(CC1)N
InChI
InChI=1S/C8H15NO2/c1-11-8(10)6-2-4-7(9)5-3-6/h6-7H,2-5,9H2,1H3
InChIKey
FFKGMXGWLOPOAO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.95
TPSA
52.32
LogP / Solubility
WLOGP
0.68
MLOGP
0.59
XLogP3
0.4
Consensus LogP
0.56
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 175868-01-6 Carbamic acid, 3-azabicyclo[3.1.1]hept-1-yl-, 1,1-dimethylethyl ester (9CI) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Carbamic acid, 3-azabicyclo[3.1.1]hept-1-yl-, 1,1-dimethylethyl ester (9CI)
- CAS RN: 175868-01-6
- Product Code: SSC-077104
-
6-AMINO-1,2,3,4-TETRAHYDRO-ISOQUINOLIN HYDROCHLORIDE
- CAS RN: 175871-42-8
- Product Code: SSC-077108
-
1,2,3,4-TETRAHYDRO-ISOQUINOLIN-7-YLAMINE HCL
- CAS RN: 175871-45-1
- Product Code: SSC-077109
-
3-BroMo-8-Methyl-iMidazo[1,2-a]pyridine-2-carbaldehyde
- CAS RN: 175878-06-5
- Product Code: starshine_CAS175878-06-5
- Purity/Analytical method: >99.0%
-
Imidazo[1,2-a]pyridine-3-carboxaldehyde, 8-methyl- (9CI)
- CAS RN: 175878-16-7
- Product Code: SSC-077110
-
1-Oxaspiro[2.3]hexane-5-carboxylicacid,methylester(9CI)
- CAS RN: 175881-34-2
- Product Code: SSC-077111
![CAS 175868-01-6 Carbamic acid, 3-azabicyclo[3.1.1]hept-1-yl-, 1,1-dimethylethyl ester (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/175868-01-6.gif)
![CAS 175878-06-5 3-BroMo-8-Methyl-iMidazo[1,2-a]pyridine-2-carbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/175878-06-5.gif)
![CAS 175878-16-7 Imidazo[1,2-a]pyridine-3-carboxaldehyde, 8-methyl- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/175878-16-7.gif)
![CAS 175881-34-2 1-Oxaspiro[2.3]hexane-5-carboxylicacid,methylester(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/175881-34-2.gif)