![CAS 1239460-84-4 5-BroMo-4-hydrazinylthieno[2,3-d]pyriMidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1239460-84-4.gif)
CAS RN: 1239460-84-4
5-BroMo-4-hydrazinylthieno[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.20260212 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1239460-84-4
- Purity/Analytical Methods: >99.0%
1239460-84-4 / (5-bromothieno[2,3-d]pyrimidin-4-yl)hydrazine
Basic Information
CAS
1239460-84-4
Multi CAS
No
Molecular Formula
C6H5BrN4S
Molecular Weight
245.100000
Exact Mass
243.941830
SMILES
C1=C(C2=C(N=CN=C2S1)NN)Br
InChI
InChI=1S/C6H5BrN4S/c7-3-1-12-6-4(3)5(11-8)9-2-10-6/h1-2H,8H2,(H,9,10,11)
InChIKey
BLZFLPGGZSSZBG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
52.93
TPSA
63.83
LogP / Solubility
WLOGP
1.74
MLOGP
1.54
XLogP3
1.8
Consensus LogP
1.69
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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