![CAS 1337532-92-9 5-broMothieno[2,3-d]pyriMidin-4-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1337532-92-9.gif)
CAS RN: 1337532-92-9
5-broMothieno[2,3-d]pyriMidin-4-aMine
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.20250327 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1337532-92-9
- Purity/Analytical Methods: >99.0%
1337532-92-9 / 5-bromothieno[2,3-d]pyrimidin-4-amine
Basic Information
CAS
1337532-92-9
Multi CAS
No
Molecular Formula
C6H4BrN3S
Molecular Weight
230.090000
Exact Mass
228.930930
SMILES
C1=C(C2=C(N=CN=C2S1)N)Br
InChI
InChI=1S/C6H4BrN3S/c7-3-1-11-6-4(3)5(8)9-2-10-6/h1-2H,(H2,8,9,10)
InChIKey
XIGNYVXBEMTBEM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.53
TPSA
51.8
LogP / Solubility
WLOGP
2.04
MLOGP
1.8
XLogP3
1.9
Consensus LogP
1.91
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately 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)
-2.68
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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![CAS 1337533-85-3 5-(2,3-Dihydro-1H-indol-5-yl)-7-methyl-7H-pyrrolo-[2,3-d]pyrimidin-4-amine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1337533-85-3.gif)
