![CAS 1807542-78-4 2-Chloro-4-methoxythieno[3,2-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1807542-78-4.gif)
CAS RN: 1807542-78-4
2-Chloro-4-methoxythieno[3,2-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.20250126 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1807542-78-4
- Purity/Analytical Methods: >99.0%
1807542-78-4 / 2-chloro-4-methoxythieno[3,2-d]pyrimidine
Basic Information
CAS
1807542-78-4
Multi CAS
No
Molecular Formula
C7H5ClN2OS
Molecular Weight
200.650000
Exact Mass
199.981112
SMILES
COC1=NC(=NC2=C1SC=C2)Cl
InChI
InChI=1S/C7H5ClN2OS/c1-11-6-5-4(2-3-12-5)9-7(8)10-6/h2-3H,1H3
InChIKey
DGVWJWLQGOOQJQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
48.98
TPSA
35.01
LogP / Solubility
WLOGP
2.35
MLOGP
2.07
XLogP3
2.6
Consensus LogP
2.34
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly 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)
-2.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
