CAS RN: 801316-10-9
Methyl 3-(3-carbaMoyl-4-(3-MethoxyphenylaMino)-8-Methylquinolin-6-ylthio)benzoate
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.20250620 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-189124
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 | Beijing | Inquiry |
801316-10-9 / methyl 3-[3-carbamoyl-4-(3-methoxyanilino)-8-methylquinolin-6-yl]sulfanylbenzoate
Basic Information
CAS
801316-10-9
Multi CAS
No
Molecular Formula
C26H23N3O4S
Molecular Weight
473.500000
Exact Mass
473.140927
InChI
InChI=1S/C26H23N3O4S/c1-15-10-20(34-19-9-4-6-16(11-19)26(31)33-3)13-21-23(15)28-14-22(25(27)30)24(21)29-17-7-5-8-18(12-17)32-2/h4-14H,1-3H3,(H2,27,30)(H,28,29)
InChIKey
AOCIEGYBFGBCQE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
22
Fraction Csp3
0.12
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
2
Molar refractivity
133.18
TPSA
103.54
LogP / Solubility
WLOGP
5.33
MLOGP
4.73
XLogP3
5.4
Consensus LogP
5.15
Log S (ESOL)
-6.15
Class (ESOL)
Insoluble
Log S (Ali)
-7.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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