![CAS 518048-02-7 BENZYL [1-[4-[[(4-FLUOROBENZYL)AMINO]CARBONYL]-5-HYDROXY-1-METHYL-6-OXO-1,6-DIHYDROPYRIMIDIN-2-YL]-1-METHYLETHYL]CARBAMATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/518048-02-7.gif)
CAS RN: 518048-02-7
BENZYL [1-[4-[[(4-FLUOROBENZYL)AMINO]CARBONYL]-5-HYDROXY-1-METHYL-6-OXO-1,6-DIHYDROPYRIMIDIN-2-YL]-1-METHYLETHYL]CARBAMATE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250903 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-158812
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
518048-02-7 / benzyl N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]carbamate
Basic Information
CAS
518048-02-7
Multi CAS
Yes
Molecular Formula
C24FH25N4O5
Molecular Weight
468.500000
Exact Mass
468.180898
InChI
InChI=1S/C24H25FN4O5/c1-24(2,28-23(33)34-14-16-7-5-4-6-8-16)22-27-18(19(30)21(32)29(22)3)20(31)26-13-15-9-11-17(25)12-10-15/h4-12,30H,13-14H2,1-3H3,(H,26,31)(H,28,33)
InChIKey
YSQDMQRPJOGQNV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
3
Molar refractivity
121.5
TPSA
122.55
LogP / Solubility
WLOGP
2.72
MLOGP
2.42
XLogP3
2.8
Consensus LogP
2.65
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.8
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.65
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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