CAS RN: 55613-22-4
ETHYL 6-OXO-2-PHENYL-1,6-DIHYDRO-5-PYRIMIDINECARBOXYLATE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-163558
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 | Shenzhen | Inquiry |
55613-22-4 / ethyl 6-oxo-2-phenyl-1H-pyrimidine-5-carboxylate
Basic Information
CAS
55613-22-4
Multi CAS
Yes
Molecular Formula
C13H12N2O3
Molecular Weight
244.250000
Exact Mass
244.084792
InChI
InChI=1S/C13H12N2O3/c1-2-18-13(17)10-8-14-11(15-12(10)16)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15,16)
InChIKey
JSIHCFJCICVJHJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
66.25
TPSA
72.05
LogP / Solubility
WLOGP
1.61
MLOGP
1.43
XLogP3
1.4
Consensus LogP
1.48
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 55618-81-0 1,5,6,7-Tetrahydro-4-hydroxy-2H-cyclopenta[b]pyridin-2-one molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1,5,6,7-Tetrahydro-4-hydroxy-2H-cyclopenta[b]pyridin-2-one
- CAS RN: 55618-81-0
- Product Code: SSC-163559
-
2-METHYL-QUINOLINE-4-CARBOXYLIC ACID METHYL ESTER
- CAS RN: 55625-40-6
- Product Code: SSC-163562
-
8-BROMOINOSINE
- CAS RN: 55627-73-1
- Product Code: starshine_CAS55627-73-1
- Purity/Analytical method: >99.0%
-
-
6-BROMO-1-METHYL-1H-IMIDAZO[4,5-B]PYRAZINE
- CAS RN: 55635-64-8
- Product Code: starshine_CAS55635-64-8
- Purity/Analytical method: >99.0%
-
(E)-2-acetamido-N-benzyl-3-phenylprop-2-enamide
- CAS RN: 55636-11-8
- Product Code: SSC-163565
![CAS 55618-81-0 1,5,6,7-Tetrahydro-4-hydroxy-2H-cyclopenta[b]pyridin-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/55618-81-0.gif)
![CAS 55635-64-8 6-BROMO-1-METHYL-1H-IMIDAZO[4,5-B]PYRAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/55635-64-8.gif)
