![CAS 185039-48-9 6-(2,6-Dichlorophenyl)-8-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/185039-48-9.gif)
CAS RN: 185039-48-9
6-(2,6-Dichlorophenyl)-8-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one
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.20250210 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS185039-48-9
- Purity/Analytical Methods: >99.0%
185039-48-9 / 6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
Basic Information
CAS
185039-48-9
Multi CAS
No
Molecular Formula
C15H11Cl2N3O3S
Molecular Weight
384.200000
Exact Mass
382.989818
SMILES
CN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=CC=C3Cl)Cl)S(=O)(=O)C
InChI
InChI=1S/C15H11Cl2N3O3S/c1-20-13-8(7-18-15(19-13)24(2,22)23)6-9(14(20)21)12-10(16)4-3-5-11(12)17/h3-7H,1-2H3
InChIKey
BADVXFUKYQHVBO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
93.34
TPSA
81.92
LogP / Solubility
WLOGP
2.71
MLOGP
2.4
XLogP3
2.6
Consensus LogP
2.57
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
PD0166285
- CAS RN: 185039-89-8
- Product Code: starshine_CAS185039-89-8
- Purity/Analytical method: >99.0%
-
PD173955
- CAS RN: 185039-99-0
- Product Code: starshine_CAS185039-99-0
- Purity/Analytical method: >99.0%
-
4-METHYLAMINO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE
- CAS RN: 185040-32-8
- Product Code: SSC-085595
-
ETHYL 4-(ETHYLAMINO)-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE
- CAS RN: 185040-33-9
- Product Code: SSC-085596
-
(4-(ethylaMino)-2-(Methylthio)pyriMidin-5-yl)Methanol
- CAS RN: 185040-34-0
- Product Code: starshine_CAS185040-34-0
- Purity/Analytical method: >99.0%
-
4-(ethylaMino)-2-(Methylthio)pyriMidine-5-carbaldehyde
- CAS RN: 185040-35-1
- Product Code: SSC-085597
