CAS RN: 2055078-49-2
MNK8
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250815 | 25mg / 50mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2055078-49-2
- Purity/Analytical Methods: >99.0%
2055078-49-2 / 3-methyl-6-naphthalen-1-yl-1H-pyrimidine-2,4-dione
Basic Information
CAS
2055078-49-2
Multi CAS
No
Molecular Formula
C15H12N2O2
Molecular Weight
252.270000
Exact Mass
252.089878
SMILES
CN1C(=O)C=C(NC1=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C15H12N2O2/c1-17-14(18)9-13(16-15(17)19)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,16,19)
InChIKey
SJRMGNRXVMMJSY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
16
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
75.25
TPSA
54.86
LogP / Solubility
WLOGP
1.89
MLOGP
1.67
XLogP3
2.1
Consensus LogP
1.89
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
Carboxyrhodamine 110-PEG4- Alkyne
- CAS RN: 2055103-66-5
- Product Code: starshine_CAS2055103-66-5
- Purity/Analytical method: >99.0%
-
6-(2,2,2-Trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diol
- CAS RN: 2055107-42-9
- Product Code: SSC-096677
-
2,4-dichloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
- CAS RN: 2055107-43-0
- Product Code: starshine_CAS2055107-43-0
- Purity/Analytical method: >99.0%
-
(3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid
- CAS RN: 2055118-14-2
- Product Code: starshine_CAS2055118-14-2
- Purity/Analytical method: >99.0%
-
Jinflexin A
- CAS RN: 2055155-75-2
- Product Code: starshine_CAS2055155-75-2
- Purity/Analytical method: >99.0%
-
Jinflexin D
- CAS RN: 2055155-78-5
- Product Code: starshine_CAS2055155-78-5
- Purity/Analytical method: >99.0%
![CAS 2055107-42-9 6-(2,2,2-Trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2055107-42-9.png)
![CAS 2055107-43-0 2,4-dichloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2055107-43-0.png)
