CAS RN: 1263045-28-8
BOC-D-DAP(Z)-OL
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.20250621 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1263045-28-8
- Purity/Analytical Methods: >99.0%
1263045-28-8 / benzyl N-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
Basic Information
CAS
1263045-28-8
Multi CAS
No
Molecular Formula
C16H24N2O5
Molecular Weight
324.370000
Exact Mass
324.168522
SMILES
CC(C)(C)OC(=O)N[C@H](CNC(=O)OCC1=CC=CC=C1)CO
InChI
InChI=1S/C16H24N2O5/c1-16(2,3)23-15(21)18-13(10-19)9-17-14(20)22-11-12-7-5-4-6-8-12/h4-8,13,19H,9-11H2,1-3H3,(H,17,20)(H,18,21)/t13-/m1/s1
InChIKey
JQIQDJDXPRRWIN-CYBMUJFWSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
84.87
TPSA
96.89
LogP / Solubility
WLOGP
1.8
MLOGP
1.6
XLogP3
1.5
Consensus LogP
1.63
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly soluble
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
No
Log Kp (skin permeation)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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