CAS RN: 754190-28-8
(3-broMophenyl)(4,6-dichloropyriMidin-5-yl)Methanone, 97%(HPLC)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250901 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINM926563
754190-28-8 / (3-bromophenyl)-(4,6-dichloropyrimidin-5-yl)methanone
Basic Information
CAS
754190-28-8
Multi CAS
No
Molecular Formula
C11H5BRCL2N2O
Molecular Weight
331.980000
Exact Mass
329.896230
InChI
InChI=1S/C11H5BrCl2N2O/c12-7-3-1-2-6(4-7)9(17)8-10(13)15-5-16-11(8)14/h1-5H
InChIKey
NHBNXDHHWJMBRO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
69.63
TPSA
42.85
LogP / Solubility
WLOGP
3.78
MLOGP
3.34
XLogP3
4.2
Consensus LogP
3.77
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.19
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
(3-chloro-5-Methyl-4,5-dihydroisoxazol-5-yl)Methanol
- CAS RN: 1823332-89-3
- Product Code: LINM927234
-
-
(3-Ethylimidazole-4-yl) methylamine dihydrochloride
- CAS RN: 1255717-13-5
- Product Code: SSC-030319
-
-
-
![CAS 1247628-40-5 (3-Cyano-[1,2,4]triazol-1-yl)-acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1247628-40-5.png)
