CAS RN: 34897-61-5
Dicyclohexylamine (S)-4-(((benzyloxy)carbonyl)amino)-5-(tert-butoxy)-5-oxopentanoate
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.20250812 | 5g / 10g / 25g / 250g | Out of stock | 5-7 business days | Inquiry |
- Product code: LIND899774
34897-61-5 / N-cyclohexylcyclohexanamine;(4S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
Basic Information
CAS
34897-61-5
Multi CAS
Yes
Molecular Formula
C29H46N2O6
Molecular Weight
518.700000
Exact Mass
518.335587
InChI
InChI=1S/C17H23NO6.C12H23N/c1-17(2,3)24-15(21)13(9-10-14(19)20)18-16(22)23-11-12-7-5-4-6-8-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,20);11-13H,1-10H2/t13-;/m0./s1
InChIKey
POQMGEMMYVJQOK-ZOWNYOTGSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
6
Fraction Csp3
0.69
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
3
Molar refractivity
143.15
TPSA
113.96
LogP / Solubility
WLOGP
5.73
MLOGP
5.08
XLogP3
5.73
Consensus LogP
5.51
Log S (ESOL)
-6.19
Class (ESOL)
Insoluble
Log S (Ali)
-7.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.87
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.82
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
4.5
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