![CAS 761440-16-8 2,5-Dichloro-N-[2-(isopropylsulfonyl)phenyl]pyrimidin-4-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5068-jpgcontextbwfzdgvyfhjvb3r8ndi0mzl8aw1hz2uvanblz3xomtavadg1lzg5mzazntu5mdq1ndivrduwnjguanbnfgmznju1mda1yjmxmzuxzdbiytnhmjlmzjnjyjzkodk2yzc1nzblnzywmzrkmdiyntfkotdkzwvhzmu0njzkyzu.jpeg)
CAS RN: 761440-16-8
2,5-Dichloro-N-[2-(isopropylsulfonyl)phenyl]pyrimidin-4-amine
- Product code: SSC-185589
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 1g, 10g, 25g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥98% | 2 In Stock | Shenzhen | Inquiry |
| 1g | ≥98% | 1 In Stock | Hong Kong | Inquiry |
| 10g | ≥98% | 1 In Stock | Hong Kong | Inquiry |
| 25g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
761440-16-8 / 2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
Basic Information
CAS
761440-16-8
Multi CAS
Yes
Molecular Formula
C13H13CL2N3O2S
Molecular Weight
346.200000
Exact Mass
345.010553
InChI
InChI=1S/C13H13Cl2N3O2S/c1-8(2)21(19,20)11-6-4-3-5-10(11)17-12-9(14)7-16-13(15)18-12/h3-8H,1-2H3,(H,16,17,18)
InChIKey
WWVLDJAVSQZSKO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.23
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
84.1
TPSA
71.95
LogP / Solubility
WLOGP
3.71
MLOGP
3.28
XLogP3
4.3
Consensus LogP
3.76
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
