CAS RN: 204197-26-2
BOC-D-DAP(ALOC)-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.20260426 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS204197-26-2
- Purity/Analytical Methods: >99.0%
204197-26-2 / N-cyclohexylcyclohexanamine;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(prop-2-enoxycarbonylamino)propanoic acid
Basic Information
CAS
204197-26-2
Multi CAS
No
Molecular Formula
C24H43N3O6
Molecular Weight
469.600000
Exact Mass
469.315186
SMILES
CC(C)(C)OC(=O)N[C@H](CNC(=O)OCC=C)C(=O)O.C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C12H20N2O6.C12H23N/c1-5-6-19-10(17)13-7-8(9(15)16)14-11(18)20-12(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5,8H,1,6-7H2,2-4H3,(H,13,17)(H,14,18)(H,15,16);11-13H,1-10H2/t8-;/m1./s1
InChIKey
KRVXFXVPQJBLFE-DDWIOCJRSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Fraction Csp3
0.79
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
4
Molar refractivity
127.22
TPSA
125.99
LogP / Solubility
WLOGP
4.12
MLOGP
3.66
XLogP3
4.12
Consensus LogP
3.97
Log S (ESOL)
-4.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.09
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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