![CAS 916741-98-5 Benzenesulfonamide,5-[[5-fluoro-4–[[4-(2-propyn-1-yloxy)phenyl]amino]-2-pyrimidinyl]amino]-2-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/916741-98-5.gif)
CAS RN: 916741-98-5
Benzenesulfonamide,5-[[5-fluoro-4–[[4-(2-propyn-1-yloxy)phenyl]amino]-2-pyrimidinyl]amino]-2-methyl-
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: starshine_CAS916741-98-5
- Purity/Analytical Methods: >99.0%
916741-98-5 / 5-[[5-fluoro-4-(4-prop-2-ynoxyanilino)pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
Basic Information
CAS
916741-98-5
Multi CAS
No
Molecular Formula
C20FH18N5O3S
Molecular Weight
427.500000
Exact Mass
427.111439
InChI
InChI=1S/C20H18FN5O3S/c1-3-10-29-16-8-6-14(7-9-16)24-19-17(21)12-23-20(26-19)25-15-5-4-13(2)18(11-15)30(22,27)28/h1,4-9,11-12H,10H2,2H3,(H2,22,27,28)(H2,23,24,25,26)
InChIKey
YSWHPGYAPJLREH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
3
Molar refractivity
111.88
TPSA
119.23
LogP / Solubility
WLOGP
3.07
MLOGP
2.73
XLogP3
3.1
Consensus LogP
2.97
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.83
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
(S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanoicacid
- CAS RN: 916746-27-5
- Product Code: SSC-205039
-
-
Boronic acid, B-[2-bromo-5-(1,1-dimethylethyl)phenyl]-
- CAS RN: 916747-52-9
- Product Code: SSC-205041
-
Butanoic acid, 4-[[4-[2-[2-methoxy-5-methyl-4-[2-(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]methylamino]-, 2,5-dioxo-1-pyrrolidinyl ester
- CAS RN: 916753-61-2
- Product Code: starshine_CAS916753-61-2
- Purity/Analytical method: >99.0%
-
(S)-2-AMino-1-(1-piperidinyl)-1-propanone HCl
- CAS RN: 916762-49-7
- Product Code: SSC-205043
-
N-(2-Aminoethyl)-2-methylpropanamide hydrochloride
- CAS RN: 916762-55-5
- Product Code: SSC-205044
![CAS 916747-52-9 Boronic acid, B-[2-bromo-5-(1,1-dimethylethyl)phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/916747-52-9.gif)
![CAS 916753-61-2 Butanoic acid, 4-[[4-[2-[2-methoxy-5-methyl-4-[2-(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]methylamino]-, 2,5-dioxo-1-pyrrolidinyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/916753-61-2.gif)
