![CAS 2438637-61-5 2(1H)-Pyridinone, 4-[(2,6-dichlorophenyl)thio]-3-[(1,3-dihydro-5,6-dimethoxy-2H-isoindol-2-yl)carbonyl]-6-(trifluoromethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2438637-61-5.gif)
CAS RN: 2438637-61-5
2(1H)-Pyridinone, 4-[(2,6-dichlorophenyl)thio]-3-[(1,3-dihydro-5,6-dimethoxy-2H-isoindol-2-yl)carbonyl]-6-(trifluoromethyl)-
Product Availability
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5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260627 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251009 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250626 | 1mg / 5mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250715 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250114 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2438637-61-5
- Purity/Analytical Methods: >99.0%
2438637-61-5 / 4-(2,6-dichlorophenyl)sulfanyl-3-(5,6-dimethoxy-1,3-dihydroisoindole-2-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
Basic Information
CAS
2438637-61-5
Multi CAS
No
Molecular Formula
C23H17Cl2F3N2O4S
Molecular Weight
545.400000
Exact Mass
544.023818
SMILES
COC1=C(C=C2CN(CC2=C1)C(=O)C3=C(C=C(NC3=O)C(F)(F)F)SC4=C(C=CC=C4Cl)Cl)OC
InChI
InChI=1S/C23H17Cl2F3N2O4S/c1-33-15-6-11-9-30(10-12(11)7-16(15)34-2)22(32)19-17(8-18(23(26,27)28)29-21(19)31)35-20-13(24)4-3-5-14(20)25/h3-8H,9-10H2,1-2H3,(H,29,31)
InChIKey
SPAYLOCXFWJEBL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.22
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
125.77
TPSA
71.63
LogP / Solubility
WLOGP
6.02
MLOGP
5.34
XLogP3
4.8
Consensus LogP
5.39
Log S (ESOL)
-7.07
Class (ESOL)
Insoluble
Log S (Ali)
-8.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.81
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
3
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