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
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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1212079-48-5 / (1R)-1-(4-cyclohexylphenyl)ethanamine
1-(4-cyclohexylphenyl)ethanamine | 1-(4-Cyclohexylphenyl)ethan-1-amine | MFCD05215264
Basic Information
CAS
1212079-48-5
Multi CAS
Yes
Molecular Formula
C14H21N
Molecular Weight
203.320000
Exact Mass
203.167400
SMILES
C[C@H](C1=CC=C(C=C1)C2CCCCC2)N
InChI
InChI=1S/C14H21N/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-11,13H,2-6,15H2,1H3/t11-/m1/s1
InChIKey
OKHUAJLXSDHXCS-LLVKDONJSA-N
Synonyms
1-(4-cyclohexylphenyl)ethanamine
1-(4-Cyclohexylphenyl)ethan-1-amine
MFCD05215264
BENZENEMETHANAMINE, 4-CYCLOHEXYL-.ALPHA.-METHYL-
(R)-1-(4-Cyclohexylphenyl)ethan-1-amine
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
64.87
TPSA
26.02
LogP / Solubility
WLOGP
3.75
MLOGP
3.3
XLogP3
3.7
Consensus LogP
3.58
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.34
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
(R)-2-(tert-butoxycarbonyl)isoindoline-1-carboxylic acid
- CAS RN: 1212086-74-2
- Product Code: SSC-022961
-
(1R)-1-(5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)ETHAN-1-AMINE
- CAS RN: 1212104-62-5
- Product Code: starshine_CAS1212104-62-5
- Purity/Analytical method: >99.0%
-
3-azabicyclo[3.1.0]hexane-6-carboxylic acid
- CAS RN: 1212105-25-3
- Product Code: SSC-022966
-
-
methyl (3R,4R)-4-(trifluoromethyl)pyrrolidine-3-carboxylate hydrochloride
- CAS RN: 1212115-75-7
- Product Code: SSC-022969
-
α-Me-Phe(3-Br)-OH·H2O
- CAS RN: 1212117-73-1
- Product Code: starshine_CAS1212117-73-1
- Purity/Analytical method: >99.0%
![CAS 1212105-25-3 3-azabicyclo[3.1.0]hexane-6-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1212105-25-3.gif)
