CAS RN: 871731-76-9
tert-butyl acetyl(3-acetyl-7-Methoxynaphthalen-1-yl)carbaMate
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.20260701 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS871731-76-9
- Purity/Analytical Methods: >99.0%
871731-76-9 / tert-butyl N-acetyl-N-(3-acetyl-7-methoxynaphthalen-1-yl)carbamate
Basic Information
CAS
871731-76-9
Multi CAS
No
Molecular Formula
C20H23NO5
Molecular Weight
357.400000
Exact Mass
357.157623
InChI
InChI=1S/C20H23NO5/c1-12(22)15-9-14-7-8-16(25-6)11-17(14)18(10-15)21(13(2)23)19(24)26-20(3,4)5/h7-11H,1-6H3
InChIKey
GTVALBVJKOAQEC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
10
Fraction Csp3
0.35
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
99.9
TPSA
72.91
LogP / Solubility
WLOGP
4.34
MLOGP
3.84
XLogP3
3.4
Consensus LogP
3.86
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.94
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.82
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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