CAS RN: 1423018-02-3
(Tert-Butoxy)Carbonyl D-Dap(Boc)-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.20260104 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1423018-02-3
- Purity/Analytical Methods: >99.0%
1423018-02-3 / (2R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;N-cyclohexylcyclohexanamine
Basic Information
CAS
1423018-02-3
Multi CAS
No
Molecular Formula
C25H47N3O6
Molecular Weight
485.700000
Exact Mass
485.346486
SMILES
CC(C)(C)OC(=O)NC[C@H](C(=O)O)NC(=O)OC(C)(C)C.C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C13H24N2O6.C12H23N/c1-12(2,3)20-10(18)14-7-8(9(16)17)15-11(19)21-13(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8H,7H2,1-6H3,(H,14,18)(H,15,19)(H,16,17);11-13H,1-10H2/t8-;/m1./s1
InChIKey
DPWKLGZKZRIVIE-DDWIOCJRSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Fraction Csp3
0.88
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
4
Molar refractivity
131.91
TPSA
125.99
LogP / Solubility
WLOGP
4.73
MLOGP
4.2
XLogP3
4.73
Consensus LogP
4.55
Log S (ESOL)
-5.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.46
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)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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