![CAS 655253-69-3 4-chloro-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/655253-69-3.gif)
CAS RN: 655253-69-3
4-chloro-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester
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.20260121 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS655253-69-3
- Purity/Analytical Methods: >99.0%
655253-69-3 / methyl 4-chlorothieno[2,3-d]pyrimidine-6-carboxylate
Basic Information
CAS
655253-69-3
Multi CAS
No
Molecular Formula
C8H5CLN2O2S
Molecular Weight
228.660000
Exact Mass
227.976026
InChI
InChI=1S/C8H5ClN2O2S/c1-13-8(12)5-2-4-6(9)10-3-11-7(4)14-5/h2-3H,1H3
InChIKey
JOVNYFVFSVYTBS-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
2.7
Consensus LogP
2.24
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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