![CAS 306934-78-1 4-CHLORO-5-METHYL-6-PHENYLTHIENO[2,3-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/306934-78-1(2).gif)
CAS RN: 306934-78-1
4-CHLORO-5-METHYL-6-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.20260425 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS306934-78-1
- Purity/Analytical Methods: >99.0%
306934-78-1 / 4-chloro-5-methyl-6-phenylthieno[2,3-d]pyrimidine
Basic Information
CAS
306934-78-1
Multi CAS
No
Molecular Formula
C13H9CLN2S
Molecular Weight
260.740000
Exact Mass
260.017497
InChI
InChI=1S/C13H9ClN2S/c1-8-10-12(14)15-7-16-13(10)17-11(8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
LRTKDTZXCFGPEU-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
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