![CAS 763926-98-3 1-Piperidineacetamide, N-[6-[(3,4-dihydro-2-phenyl-2H-1-benzopyran-6-yl)oxy]-3-pyridinyl]-4-hydroxy- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/763926-98-3.gif)
CAS RN: 763926-98-3
1-Piperidineacetamide, N-[6-[(3,4-dihydro-2-phenyl-2H-1-benzopyran-6-yl)oxy]-3-pyridinyl]-4-hydroxy-
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| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251206 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS763926-98-3
- Purity/Analytical Methods: >99.0%
763926-98-3 / 2-(4-hydroxypiperidin-1-yl)-N-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]acetamide
Basic Information
CAS
763926-98-3
Multi CAS
No
Molecular Formula
C27H29N3O4
Molecular Weight
459.500000
Exact Mass
459.215806
InChI
InChI=1S/C27H29N3O4/c31-22-12-14-30(15-13-22)18-26(32)29-21-7-11-27(28-17-21)33-23-8-10-25-20(16-23)6-9-24(34-25)19-4-2-1-3-5-19/h1-5,7-8,10-11,16-17,22,24,31H,6,9,12-15,18H2,(H,29,32)
InChIKey
UPGUBLDTYLMRHO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
129.2
TPSA
83.92
LogP / Solubility
WLOGP
4.34
MLOGP
3.85
XLogP3
3.7
Consensus LogP
3.96
Log S (ESOL)
-5.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.97
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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