![CAS 35265-82-8 2,4-DICHLORO-6-METHYLTHIENO[3,2-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/35265-82-8.gif)
CAS RN: 35265-82-8
2,4-DICHLORO-6-METHYLTHIENO[3,2-D]PYRIMIDINE
- Product code: SSC-142225
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: 0.25g, 1g, 5g, 10g
- Available purity: ≥95%
- Inventory rows with stock: 1
- 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.
35265-82-8 / 5,6-dichloro-1,3-dihydrobenzimidazole-2-thione
Basic Information
CAS
35265-82-8
Multi CAS
Yes
Molecular Formula
C7H4CL2N2S
Molecular Weight
219.090000
Exact Mass
217.947225
InChI
InChI=1S/C7H4Cl2N2S/c1-3-2-4-5(12-3)6(8)11-7(9)10-4/h2H,1H3
InChIKey
ZDKZDOFEASCBMV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
2
Molar refractivity
53.5
TPSA
31.58
LogP / Solubility
WLOGP
3.53
MLOGP
3.11
XLogP3
2.4
Consensus LogP
3.01
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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