CAS RN: 801311-24-0
Methyl 3-(3-carbaMoyl-4-(3-MethoxyphenylaMino)-8-Methylquinolin-6-ylsulfonyl)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.20250117 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-189119
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 | Shanghai | Inquiry |
801311-24-0 / methyl 3-[3-carbamoyl-4-(3-methoxyanilino)-8-methylquinolin-6-yl]sulfonylbenzoate
Basic Information
CAS
801311-24-0
Multi CAS
No
Molecular Formula
C26H23N3O6S
Molecular Weight
505.500000
Exact Mass
505.130757
InChI
InChI=1S/C26H23N3O6S/c1-15-10-20(36(32,33)19-9-4-6-16(11-19)26(31)35-3)13-21-23(15)28-14-22(25(27)30)24(21)29-17-7-5-8-18(12-17)34-2/h4-14H,1-3H3,(H2,27,30)(H,28,29)
InChIKey
ZHFCKLWUEYGSBM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
22
Fraction Csp3
0.12
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
2
Molar refractivity
134.51
TPSA
137.68
LogP / Solubility
WLOGP
4.01
MLOGP
3.57
XLogP3
4.1
Consensus LogP
3.89
Log S (ESOL)
-5.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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