CAS RN: 35761-42-3
BOC-MEVAL-OH DCHA
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.20250208 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS35761-42-3
- Purity/Analytical Methods: >99.0%
35761-42-3 / N-cyclohexylcyclohexanamine;(2S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
Basic Information
CAS
35761-42-3
Multi CAS
Yes
Molecular Formula
C23H44N2O4
Molecular Weight
412.600000
Exact Mass
412.330108
InChI
InChI=1S/C12H23N.C11H21NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(2)8(9(13)14)12(6)10(15)16-11(3,4)5/h11-13H,1-10H2;7-8H,1-6H3,(H,13,14)/t;8-/m.0/s1
InChIKey
RHZFCCMLOOAWEO-WDBKTSHHSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.91
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
117.14
TPSA
78.87
LogP / Solubility
WLOGP
5.2
MLOGP
4.6
XLogP3
5.2
Consensus LogP
5
Log S (ESOL)
-5.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.26
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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