CAS RN: 2268720-62-1
URAT1 inhibitor 1
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock2 grade groups
- Product code: starshine_CAS2268720-62-1
- Purity/Analytical Methods: >99.0%
2268720-62-1 / 1-[[5-bromo-4-[(4-bromonaphthalen-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-ylmethanesulfonamide
Basic Information
CAS
2268720-62-1
Multi CAS
No
Molecular Formula
C19H15Br2N5O2S2
Molecular Weight
569.300000
Exact Mass
568.901340
SMILES
C1=CC=C2C(=C1)C(=CC=C2Br)CN3C(=NN=C3Br)SCS(=O)(=O)NC4=CN=CC=C4
InChI
InChI=1S/C19H15Br2N5O2S2/c20-17-8-7-13(15-5-1-2-6-16(15)17)11-26-18(21)23-24-19(26)29-12-30(27,28)25-14-4-3-9-22-10-14/h1-10,25H,11-12H2
InChIKey
KPBJDNPRRPXSOG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
21
Fraction Csp3
0.11
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
1
Molar refractivity
125.98
TPSA
89.77
LogP / Solubility
WLOGP
4.89
MLOGP
4.35
XLogP3
4.5
Consensus LogP
4.58
Log S (ESOL)
-6.51
Class (ESOL)
Insoluble
Log S (Ali)
-7.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.26
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
PTQ10
- CAS RN: 2269476-13-1
- Product Code: starshine_CAS2269476-13-1
- Purity/Analytical method: >99.0%
-
2,2′-Bioxazole, 4,4′,5,5′-tetrahydro-4,4′-bis[(1S)-1-methylpropyl]-, (4R,4’R)-
- CAS RN: 2270178-41-9
- Product Code: starshine_CAS2270178-41-9
- Purity/Analytical method: >99.0%
-
INDEX NAME NOT YET ASSIGNED
- CAS RN: 2270178-45-3
- Product Code: starshine_CAS2270178-45-3
- Purity/Analytical method: >99.0%
-
1-(3-(difluoromethyl)isothiazol-5-yl)-3-(2-fluoro-5-(hydroxymethyl)pyridin-4-yl)urea
- CAS RN: 2270879-17-7
- Product Code: starshine_CAS2270879-17-7
- Purity/Analytical method: >99.0%
-
tert-Butoxycarbonylamino-(4,4-difluorocyclohexyl)-acetic acid methyl ester
- CAS RN: 2270904-94-2
- Product Code: SSC-110734
-
(11bR)-2,6-Di-1-pyrenyl-4-hydroxy-4-oxide-dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin
- CAS RN: 2270966-57-7
- Product Code: SSC-110741
![CAS 2270178-41-9 2,2′-Bioxazole, 4,4′,5,5′-tetrahydro-4,4′-bis[(1S)-1-methylpropyl]-, (4R,4’R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2270178-41-9.gif)
![CAS 2270966-57-7 (11bR)-2,6-Di-1-pyrenyl-4-hydroxy-4-oxide-dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2270966-57-7.gif)