CAS RN: 116622-38-9
L-Homocyclohexyl alanine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250805 | 1g / 5g / 10g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-016562
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
116622-38-9 / (2S)-2-amino-4-cyclohexylbutanoic acid
2-amino-4-cyclohexylbutanoic acid | L-Homocyclohexyl alanine | 2-amino-4-cyclohexyl-butanoic acid
Basic Information
CAS
116622-38-9
Multi CAS
Yes
Molecular Formula
C10H19NO2
Molecular Weight
185.260000
Exact Mass
185.141579
SMILES
C1CCC(CC1)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C10H19NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h8-9H,1-7,11H2,(H,12,13)/t9-/m0/s1
InChIKey
MXHKOHWUQAULOV-VIFPVBQESA-N
Synonyms
2-amino-4-cyclohexylbutanoic acid
L-Homocyclohexyl alanine
2-amino-4-cyclohexyl-butanoic acid
NSC12800
SCHEMBL1224024
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.42
TPSA
63.32
LogP / Solubility
WLOGP
1.76
MLOGP
1.55
XLogP3
0.1
Consensus LogP
1.14
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
