CAS RN: 2095396-33-9
trans-4-Ethynylcyclohexanamine hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250522 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS2095396-33-9
- Purity/Analytical Methods: >99.0%
2095396-33-9 / 4-ethynylcyclohexan-1-amine;hydrochloride
Basic Information
CAS
2095396-33-9
Multi CAS
No
Molecular Formula
C8H14ClN
Molecular Weight
159.650000
Exact Mass
159.081477
SMILES
C#CC1CCC(CC1)N.Cl
InChI
InChI=1S/C8H13N.ClH/c1-2-7-3-5-8(9)6-4-7;/h1,7-8H,3-6,9H2;1H
InChIKey
QRUGZCIGKYCWIH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.75
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.01
TPSA
26.02
LogP / Solubility
WLOGP
1.56
MLOGP
1.37
XLogP3
1.56
Consensus LogP
1.5
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
Morpholine, 2-(difluoromethyl)-, hydrochloride
- CAS RN: 2095408-94-7
- Product Code: SSC-099316
-
2-Oxaspiro[3.3]heptane-6-carboxylic acid, sodium salt (1:1)
- CAS RN: 2095409-78-0
- Product Code: SSC-099326
-
Carbamic acid, N-(3-aminocyclohexyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1)
- CAS RN: 2095410-88-9
- Product Code: starshine_CAS2095410-88-9
- Purity/Analytical method: >99.0%
-
3-(1H-pyrazol-4-yl)piperidine dihydrochloride
- CAS RN: 2095410-90-3
- Product Code: SSC-099339
-
2-thia-6-azaspiro[3.4]octane 2,2-dioxide hydrochloride
- CAS RN: 2095411-01-9
- Product Code: SSC-099340
-
3′-Azido-3′-deoxy-beta-L-uridine
- CAS RN: 2095417-28-8
- Product Code: starshine_CAS2095417-28-8
- Purity/Analytical method: >99.0%
![CAS 2095409-78-0 2-Oxaspiro[3.3]heptane-6-carboxylic acid, sodium salt (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2095409-78-0.png)
![CAS 2095411-01-9 2-thia-6-azaspiro[3.4]octane 2,2-dioxide hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2095411-01-9.png)
