![CAS 113418-56-7 3,7-Dihydro-1,3-dimethyl-7-[3-[4-(diphenylmethoxy)-1-piperidinyl]propyl]-1H-purine-2,6-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/113418-56-7.gif)
CAS RN: 113418-56-7
3,7-Dihydro-1,3-dimethyl-7-[3-[4-(diphenylmethoxy)-1-piperidinyl]propyl]-1H-purine-2,6-dione
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.20260426 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS113418-56-7
- Purity/Analytical Methods: >99.0%
113418-56-7 / 7-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-1,3-dimethylpurine-2,6-dione
Wy 49051 | 7-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-1,3-dimethylpurine-2,6-dione | Wy-49051
Basic Information
CAS
113418-56-7
Multi CAS
No
Molecular Formula
C28H33N5O3
Molecular Weight
487.600000
Exact Mass
487.258340
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCC(CC3)OC(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H33N5O3/c1-30-26-24(27(34)31(2)28(30)35)33(20-29-26)17-9-16-32-18-14-23(15-19-32)36-25(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,20,23,25H,9,14-19H2,1-2H3
InChIKey
YNDYDETWRDHMLW-UHFFFAOYSA-N
Synonyms
Wy 49051
7-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-1,3-dimethylpurine-2,6-dione
Wy-49051
orb1708213
SCHEMBL9620681
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
21
Fraction Csp3
0.39
Rotatable bonds
8
H-bond acceptors
8
Molar refractivity
140.11
TPSA
74.29
LogP / Solubility
WLOGP
3.09
MLOGP
2.76
XLogP3
3.5
Consensus LogP
3.12
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.36
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
-
3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
- CAS RN: 113423-51-1
- Product Code: SSC-013547
-
2,2-DIMETHYL-4(S)-4-BROMOMETHYL-1,3-DIOXALANE
- CAS RN: 113428-57-2
- Product Code: SSC-013548
-
methyl 3-(cyanomethyl)-1H-indole-5-carboxylate
- CAS RN: 113438-59-8
- Product Code: SSC-013566
-
-
![CAS 113423-51-1 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/113423-51-1.gif)
