CAS RN: 142499-65-8
6-(3-chlorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
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.20250307 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS142499-65-8
- Purity/Analytical Methods: >99.0%
142499-65-8 / 6-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
Basic Information
CAS
142499-65-8
Multi CAS
No
Molecular Formula
C12H7ClN2O
Molecular Weight
230.650000
Exact Mass
230.024691
SMILES
C1=CC(=CC(=C1)Cl)C2=CC=C(C(=O)N2)C#N
InChI
InChI=1S/C12H7ClN2O/c13-10-3-1-2-8(6-10)11-5-4-9(7-14)12(16)15-11/h1-6H,(H,15,16)
InChIKey
CEXONEQUNDRHAJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.22
TPSA
56.65
LogP / Solubility
WLOGP
2.57
MLOGP
2.26
XLogP3
2.4
Consensus LogP
2.41
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3
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
-
-
3′,4′,5,7-Tetrahydroxy-3-(β-D-galactopyranosyloxy)anthocyanidin
- CAS RN: 142506-26-1
- Product Code: starshine_CAS142506-26-1
- Purity/Analytical method: >99.0%
-
D-MYO-INOSITOL 1,3,4,6-TETRAKISPHOSPHATE, OCTAAMMONIUM SALT
- CAS RN: 142507-74-2
- Product Code: starshine_CAS142507-74-2
- Purity/Analytical method: >99.0%
-
cis-Vitisin B
- CAS RN: 142507-86-6
- Product Code: starshine_CAS142507-86-6
- Purity/Analytical method: >99.0%
-
1-[(4-HYDROXYPHENOXY)ETHYLIDENE]BIS[PHOSPHINYLIDYNEBIS(OXYMETHYLENE)]-2,2-DIMETHYLPROPANOATE
- CAS RN: 142523-14-6
- Product Code: starshine_CAS142523-14-6
- Purity/Analytical method: >99.0%
-
L-690,330
- CAS RN: 142523-38-4
- Product Code: starshine_CAS142523-38-4
- Purity/Analytical method: >99.0%
![CAS 142523-14-6 1-[(4-HYDROXYPHENOXY)ETHYLIDENE]BIS[PHOSPHINYLIDYNEBIS(OXYMETHYLENE)]-2,2-DIMETHYLPROPANOATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/142523-14-6.gif)
