CAS RN: 107753-78-6
Zafirlukast
Product Availability
Choose a grade to view its available package options.
8 package records4 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260522 | 25mg / 50mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: ICTZ0029
- Purity/Analytical Methods: >98.0%(HPLC)
107753-78-6 / cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate
zafirlukast | Accolate | ICI-204219
Basic Information
CAS
107753-78-6
Multi CAS
Yes
Molecular Formula
C31H33N3O6S
Molecular Weight
575.700000
Exact Mass
575.209007
SMILES
CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)NC(=O)OC5CCCC5)C)OC
InChI
InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
InChIKey
YEEZWCHGZNKEEK-UHFFFAOYSA-N
Synonyms
zafirlukast
Accolate
ICI-204219
ICI 204,219
ICI 204219
Physical Properties
Melting Point
139 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
21
Fraction Csp3
0.29
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
2
Molar refractivity
156.91
TPSA
115.73
LogP / Solubility
WLOGP
5.7
MLOGP
5.06
XLogP3
5.5
Consensus LogP
5.42
Log S (ESOL)
-6.85
Class (ESOL)
Insoluble
Log S (Ali)
-8.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.09
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)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5
Safety & Transport
GHS Hazard Statements
H413 (92.9%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501
