![CAS 2649372-20-1 1-Pyrrolidinesulfonamide, N-[2-cyano-3-[(3,4-dihydro-3-methyl-4-oxo-6-quinazolinyl)oxy]-4-fluorophenyl]-3-fluoro-, (3R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2649372-20-1.gif)
CAS RN: 2649372-20-1
1-Pyrrolidinesulfonamide, N-[2-cyano-3-[(3,4-dihydro-3-methyl-4-oxo-6-quinazolinyl)oxy]-4-fluorophenyl]-3-fluoro-, (3R)-
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260220 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250614 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250319 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250106 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250928 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250402 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2649372-20-1
- Purity/Analytical Methods: >99.0%
2649372-20-1 / (3R)-N-[2-cyano-4-fluoro-3-(3-methyl-4-oxoquinazolin-6-yl)oxyphenyl]-3-fluoropyrrolidine-1-sulfonamide
Basic Information
CAS
2649372-20-1
Multi CAS
No
Molecular Formula
C20H17F2N5O4S
Molecular Weight
461.400000
Exact Mass
461.096932
SMILES
CN1C=NC2=C(C1=O)C=C(C=C2)OC3=C(C=CC(=C3C#N)NS(=O)(=O)N4CC[C@H](C4)F)F
InChI
InChI=1S/C20H17F2N5O4S/c1-26-11-24-17-4-2-13(8-14(17)20(26)28)31-19-15(9-23)18(5-3-16(19)22)25-32(29,30)27-7-6-12(21)10-27/h2-5,8,11-12,25H,6-7,10H2,1H3/t12-/m1/s1
InChIKey
ZUXPFTYMSHPRQX-GFCCVEGCSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
16
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
111.8
TPSA
117.32
LogP / Solubility
WLOGP
2.44
MLOGP
2.18
XLogP3
2.2
Consensus LogP
2.27
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.28
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-3.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
(R)-tert-Butyl 4-(((tert-butyldimethylsilyl)oxy)methyl)-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide
- CAS RN: 2649409-89-0
- Product Code: SSC-124406
-
2-Pyridinecarboxamide, 4-[[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)tetrahydro-4,5-dimethyl-5-(trifluoromethyl)-2-furanyl]carbonyl]amino]-
- CAS RN: 2649467-58-1
- Product Code: SSC-124408
-
-
-
-
tert-Butyl (4-bromo-7-fluorobenzo[d]thiazol-2-yl)carbamate
- CAS RN: 2649788-82-7
- Product Code: SSC-124425
![CAS 2649467-58-1 2-Pyridinecarboxamide, 4-[[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)tetrahydro-4,5-dimethyl-5-(trifluoromethyl)-2-furanyl]carbonyl]amino]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2649467-58-1.gif)
![CAS 2649788-82-7 tert-Butyl (4-bromo-7-fluorobenzo[d]thiazol-2-yl)carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2649788-82-7.gif)