CAS RN: 27494-47-9
(R)-(2-BOC-AMINO)BUTYRIC ACID DICYCLOHEXYLAMINE SALT
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.20250601 | 5g / 25g / 100g / 500g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS27494-47-9
- Purity/Analytical Methods: >99.0%
27494-47-9 / N-cyclohexylcyclohexanamine;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Basic Information
CAS
27494-47-9
Multi CAS
Yes
Molecular Formula
C21H40N2O4
Molecular Weight
384.600000
Exact Mass
384.298808
InChI
InChI=1S/C12H23N.C9H17NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5-6(7(11)12)10-8(13)14-9(2,3)4/h11-13H,1-10H2;6H,5H2,1-4H3,(H,10,13)(H,11,12)/t;6-/m.1/s1
InChIKey
HOSMYZXDFVUSCV-FCXZQVPUSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
0.9
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
107.97
TPSA
87.66
LogP / Solubility
WLOGP
4.62
MLOGP
4.08
XLogP3
4.62
Consensus LogP
4.44
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.59
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-1.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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