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CAS RN: 349560-47-0
BOC-3-CYCLOHEXYL-L-ALANINE HYDRATE
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.20250605 | 5g / 25g / 250g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS349560-47-0
- Purity/Analytical Methods: >99.0%
349560-47-0 / (2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrate
Basic Information
CAS
349560-47-0
Multi CAS
Yes
Molecular Formula
C14H27NO5
Molecular Weight
289.370000
Exact Mass
289.188923
InChI
InChI=1S/C14H25NO4.H2O/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10;/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17);1H2/t11-;/m0./s1
InChIKey
KGIDHDHQFLWAMT-MERQFXBCSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
75.6
TPSA
107.13
LogP / Solubility
WLOGP
2.11
MLOGP
1.87
XLogP3
2.11
Consensus LogP
2.03
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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