![CAS 1246223-44-8 methyl 4-chlorothieno[3,2-d]pyrimidine-7-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1246223-44-8.gif)
CAS RN: 1246223-44-8
methyl 4-chlorothieno[3,2-d]pyrimidine-7-carboxylate
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.20260408 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1246223-44-8
- Purity/Analytical Methods: >99.0%
1246223-44-8 / methyl 4-chlorothieno[3,2-d]pyrimidine-7-carboxylate
Basic Information
CAS
1246223-44-8
Multi CAS
No
Molecular Formula
C8H5ClN2O2S
Molecular Weight
228.660000
Exact Mass
227.976026
SMILES
COC(=O)C1=CSC2=C1N=CN=C2Cl
InChI
InChI=1S/C8H5ClN2O2S/c1-13-8(12)4-2-14-6-5(4)10-3-11-7(6)9/h2-3H,1H3
InChIKey
FIRXDNARXSAIRC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
53.76
TPSA
52.08
LogP / Solubility
WLOGP
2.13
MLOGP
1.88
XLogP3
2.1
Consensus LogP
2.04
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.97
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)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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