CAS RN: 624729-63-1
tert-butyl 7-ethoxynaphthalen-1-ylcarbaMate
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.20260520 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS624729-63-1
- Purity/Analytical Methods: >99.0%
624729-63-1 / tert-butyl N-(7-ethoxynaphthalen-1-yl)carbamate
Basic Information
CAS
624729-63-1
Multi CAS
No
Molecular Formula
C17H21NO3
Molecular Weight
287.350000
Exact Mass
287.152144
InChI
InChI=1S/C17H21NO3/c1-5-20-13-10-9-12-7-6-8-15(14(12)11-13)18-16(19)21-17(2,3)4/h6-11H,5H2,1-4H3,(H,18,19)
InChIKey
QUDDPZNVVUOWRH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.35
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
84.97
TPSA
47.56
LogP / Solubility
WLOGP
4.59
MLOGP
4.05
XLogP3
4.1
Consensus LogP
4.25
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.22
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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