![CAS 83548-61-2 4-CHLORO-2-METHYL-5-PHENYLTHIENO[2,3-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/83548-61-2.gif)
CAS RN: 83548-61-2
4-CHLORO-2-METHYL-5-PHENYLTHIENO[2,3-D]PYRIMIDINE
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.20260411 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS83548-61-2
- Purity/Analytical Methods: >99.0%
83548-61-2 / 4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine
Basic Information
CAS
83548-61-2
Multi CAS
No
Molecular Formula
C13H9CLN2S
Molecular Weight
260.740000
Exact Mass
260.017497
InChI
InChI=1S/C13H9ClN2S/c1-8-15-12(14)11-10(7-17-13(11)16-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
MHSRBJIRDADQGQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
72.6
TPSA
25.78
LogP / Solubility
WLOGP
4.32
MLOGP
3.81
XLogP3
4.5
Consensus LogP
4.21
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
