![CAS 831217-43-7 1(2H)-PyriMidinehexanoic acid, 4-[1,1′-biphenyl]-4-yl-3,4-dihydro-6-Methyl-2-oxo-5-[(phenylMethoxy)carbonyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/831217-43-7.gif)
CAS RN: 831217-43-7
1(2H)-PyriMidinehexanoic acid, 4-[1,1′-biphenyl]-4-yl-3,4-dihydro-6-Methyl-2-oxo-5-[(phenylMethoxy)carbonyl]-
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260614 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260224 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251129 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250117 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260417 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260330 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS831217-43-7
- Purity/Analytical Methods: >99.0%
831217-43-7 / 6-[4-methyl-2-oxo-5-phenylmethoxycarbonyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]hexanoic acid
Basic Information
CAS
831217-43-7
Multi CAS
No
Molecular Formula
C31H32N2O5
Molecular Weight
512.600000
Exact Mass
512.231122
InChI
InChI=1S/C31H32N2O5/c1-22-28(30(36)38-21-23-11-5-2-6-12-23)29(32-31(37)33(22)20-10-4-9-15-27(34)35)26-18-16-25(17-19-26)24-13-7-3-8-14-24/h2-3,5-8,11-14,16-19,29H,4,9-10,15,20-21H2,1H3,(H,32,37)(H,34,35)
InChIKey
GHFQWLNXJMUCGC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
18
Fraction Csp3
0.26
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
2
Molar refractivity
144.9
TPSA
95.94
LogP / Solubility
WLOGP
6.08
MLOGP
5.39
XLogP3
4.9
Consensus LogP
5.46
Log S (ESOL)
-6.47
Class (ESOL)
Insoluble
Log S (Ali)
-8.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.36
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.53
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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![CAS 831226-39-2 (ALPHAS,ALPHAS)-1,1′-BIS[ALPHA-(DIMETHYLAMINO)BENZYL]-(R,R)-2,2′-BIS[BIS(2-METHYLPHENYL)PHOSPHINO]FERROCENE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/831226-39-2.gif)
