CAS RN: 1823806-99-0
1-(4-N,N-Di-boc-aminophenyl)ethanone
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.20250419 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1823806-99-0
- Purity/Analytical Methods: >99.0%
1823806-99-0 / tert-butyl N-(4-acetylphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
Basic Information
CAS
1823806-99-0
Multi CAS
No
Molecular Formula
C18H25NO5
Molecular Weight
335.400000
Exact Mass
335.173273
SMILES
CC(=O)C1=CC=C(C=C1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChI
InChI=1S/C18H25NO5/c1-12(20)13-8-10-14(11-9-13)19(15(21)23-17(2,3)4)16(22)24-18(5,6)7/h8-11H,1-7H3
InChIKey
MLDBMGVOGHLZQN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
91.39
TPSA
72.91
LogP / Solubility
WLOGP
4.57
MLOGP
4.03
XLogP3
3.5
Consensus LogP
4.03
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.87
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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