![CAS 2210228-45-6 [1,1′-Biphenyl]-3-carboxamide, 4′-[[[1-(cyclopropylcarbonyl)-1,2,3,4-tetrahydro-7-quinolinyl]amino]sulfonyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2210228-45-6.gif)
CAS RN: 2210228-45-6
[1,1′-Biphenyl]-3-carboxamide, 4′-[[[1-(cyclopropylcarbonyl)-1,2,3,4-tetrahydro-7-quinolinyl]amino]sulfonyl]-
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-106330
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | >95% | 0 Out of Stock | Shanghai | Inquiry |
2210228-45-6 / 3-[4-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]sulfamoyl]phenyl]benzamide
Basic Information
CAS
2210228-45-6
Multi CAS
No
Molecular Formula
C26H25N3O4S
Molecular Weight
475.600000
Exact Mass
475.156577
SMILES
C1CC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C4=CC(=CC=C4)C(=O)N)N(C1)C(=O)C5CC5
InChI
InChI=1S/C26H25N3O4S/c27-25(30)21-4-1-3-20(15-21)17-9-12-23(13-10-17)34(32,33)28-22-11-8-18-5-2-14-29(24(18)16-22)26(31)19-6-7-19/h1,3-4,8-13,15-16,19,28H,2,5-7,14H2,(H2,27,30)
InChIKey
XGGNCZLDTJOSFV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
131.04
TPSA
109.57
LogP / Solubility
WLOGP
3.94
MLOGP
3.5
XLogP3
3.2
Consensus LogP
3.55
Log S (ESOL)
-5.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.74
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)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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![CAS 2211181-64-3 IN1371, 2-(2-ethylhexyl)-5,6-difluoro-2H-benzo[d][1,2,3]triazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2211181-64-3.gif)
