![CAS 898781-14-1 CYCLOBUTYL 2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL KETONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898781-14-1.gif)
CAS RN: 898781-14-1
CYCLOBUTYL 2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL KETONE
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.20260320 | 1g / 2g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS898781-14-1
- Purity/Analytical Methods: >99.0%
898781-14-1 / cyclobutyl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
Basic Information
CAS
898781-14-1
Multi CAS
No
Molecular Formula
C19H25NO3
Molecular Weight
315.400000
Exact Mass
315.183444
InChI
InChI=1S/C19H25NO3/c21-18(15-5-3-6-15)17-7-2-1-4-16(17)14-20-10-8-19(9-11-20)22-12-13-23-19/h1-2,4,7,15H,3,5-6,8-14H2
InChIKey
MMBCHPHMLAFOBE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
87.26
TPSA
38.77
LogP / Solubility
WLOGP
3.01
MLOGP
2.66
XLogP3
2.4
Consensus LogP
2.69
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
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